1,3-Dibromo-5-fluorobenzene(1435-51-4) MS
Product Name1,3-Dibromo-5-fluorobenzene
CAS1435-51-4
Molecular FormulaC6H3Br2F
Molecular Weight253.89
InChIInChI=1S/C6H3Br2F/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey ASWYHZXKFSLNLN-UHFFFAOYSA-N
SmilesC1(Br)=CC(F)=CC(Br)=C1
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MassMS-IW-5094 1,3-dibromo-5-fluorobenzene C6H3Br2F (Mass of molecular ion: 252)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.4 37.0 2.8 38.0 1.7 47.0 4.2 49.0 1.9 50.0 10.6 61.0 4.0 62.0 3.6 63.0 2.2 68.0 8.8 69.0 1.1 73.0 3.6 74.0 13.0 75.0 4.7 80.0 1.2 82.0 1.1 86.0 5.0 86.5 2.4 87.0 5.0 87.5 2.0 92.0 4.1 93.0 14.5 94.0 52.6 95.0 3.9 126.0 5.9 127.0 11.7 128.0 6.2 172.0 1.6 173.0 56.5 174.0 5.5 175.0 54.6 176.0 3.8 252.0 51.8 253.0 3.7 254.0 100.0 255.0 6.6 256.0 47.9 257.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 Br2 F 0.05 ml : 0.5 ml CDCl3 1,3-dibromo-5-fluorobenzene 
Assign. Shift(ppm)
A 7.445 B 7.185
Hz ppm Int.2977.54 7.451 444 2975.95 7.447 697 2974.98 7.444 677 2973.39 7.440 382 2876.34 7.198 1000 2874.76 7.194 919 2868.29 7.178 977 2866.70 7.174 913 2855.35 7.145 28 2853.64 7.141 26
in CDCl3
liquid film
