98-58-8

4-溴苯磺酰氯(98-58-8)質(zhì)譜(MS)

產(chǎn)品名稱:4-溴苯磺酰氯

CAS:98-58-8

分子式:C6H4BrClO2S

分子量: 255.52

InChI:InChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

InChIKey: KMMHZIBWCXYAAH-UHFFFAOYSA-N

Smiles:C1(S(Cl)(=O)=O)=CC=C(Br)C=C1

Mass

MS-NW-2258          
p-bromobenzenesulfonyl chloride
C6H4BrClO2S         (Mass of molecular ion:    254)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       3.7
      28.0       2.0
      35.0       1.0
      36.0       3.9
      37.0       4.2
      38.0      10.2
      39.0       2.4
      44.0       1.9
      45.0       1.9
      48.0       9.9
      49.0       3.1
      50.0      45.5
      51.0       9.8
      61.0       2.0
      62.0       2.3
      63.0       5.1
      64.0      19.6
      65.0       1.1
      66.0       1.0
      69.0       2.9
      73.0       4.3
      74.0      21.5
      75.0      56.1
      76.0      50.2
      77.0      16.3
      78.0       1.0
      82.0       1.0
      95.0       1.6
      96.0       4.1
     108.0       3.1
     109.0       1.6
     109.5       1.0
     110.5       1.0
     111.0       5.9
     113.0       1.9
     117.0       1.1
     119.0       1.0
     129.0       1.9
     131.0       2.0
     143.0       2.7
     145.0       2.4
     155.0     100.0
     156.0      16.0
     157.0      98.0
     158.0      15.1
     171.0       1.1
     172.0       1.3
     173.0       1.3
     174.0       1.3
     175.0       1.1
     177.0       1.0
     188.0       1.0
     190.0       3.2
     192.0       3.2
     203.0       4.0
     205.0       4.1
     219.0      82.9
     220.0       6.2
     221.0      83.9
     222.0       6.3
     223.0       4.2
     236.0       1.3
     254.0      21.5
     255.0       1.6
     256.0      29.2
     257.0       2.2
     258.0       8.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₄ Br Cl O₂ S	0.047 g : 0.5 ml CDCl₃
p-bromobenzenesulfonyl chloride

    Assign.     Shift(ppm)

      A             7.90
      B             7.79

     Hz     ppm     Int.

    715.75   7.992     42
    714.25   7.976    245
    713.69   7.969    116
    713.31   7.965    104
    711.75   7.948    125
    711.13   7.941     36
    707.56   7.901    189
    705.19   7.874   1000
    703.56   7.856    252
    701.00   7.828    253
    699.38   7.810    911
    697.00   7.783    188
    693.50   7.744     25
    692.81   7.736    127
    691.19   7.718    106
    690.88   7.715    115
    690.31   7.708    243
    688.81   7.692     44

in CDCl3