446-32-2

2-Amino-4-fluorobenzoic acid(446-32-2) MS

Product Name2-Amino-4-fluorobenzoic acid

CAS 446-32-2

Molecular FormulaC7H6FNO2

Molecular Weight155.13

InChIInChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)

InChIKey LGPVTNAJFDUWLF-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=C(F)C=C1N

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2-Amino-4-fluorobenzoic acid(446-32-2) MS
Mass

MS-KW-0567          
4-fluoroanthranilic acid
C7H6FNO2            (Mass of molecular ion:    155)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.0
      28.0       3.0
      31.0       2.0
      37.0       1.6
      38.0       2.5
      39.0       2.9
      41.0       1.1
      44.0       2.2
      44.5       1.1
      45.0       1.9
      50.0       1.5
      51.0       2.0
      52.0       3.5
      53.0       1.1
      54.5       4.6
      55.0       3.0
      56.0       1.6
      57.0       8.7
      61.0       2.1
      62.0       3.5
      63.0       6.9
      64.0       2.3
      65.0       1.7
      68.0       1.3
      68.5       2.8
      69.0       2.9
      70.0       1.2
      77.5       1.4
      81.0       5.4
      82.0      18.6
      83.0      17.8
      84.0       3.7
      89.0       2.6
      90.0       3.7
      94.0       2.0
     108.0       3.9
     109.0      11.4
     110.0      70.7
     111.0       8.1
     137.0     100.0
     138.0      13.3
     139.0       1.0
     155.0      61.1
     156.0       5.0

400 MHz in DMSO-d6

2-Amino-4-fluorobenzoic acid(446-32-2) MS

¹H NMR	399.65 MHz
C₇H₆FNO₂	0.040 g : 0.5 ml DMSO-d₆
4-fluoroanthranilic acid

    Assign.     Shift(ppm)

     A           7.780
     B           6.532
     C           6.330

     Hz     ppm     Int.

   3118.29   7.800    854
   3111.21   7.783    989
   3109.38   7.778   1000
   3102.30   7.760    858
   2618.41   6.550    892
   2615.85   6.544    928
   2606.57   6.520    908
   2604.01   6.514    896
   2540.29   6.355    514
   2537.72   6.348    498
   2531.62   6.333    845
   2529.06   6.327    784
   2523.08   6.312    518
   2520.51   6.305    465

KBr disk