4-Bromo-1-chloro-2-fluorobenzene(60811-18-9) MS
Product Name4-Bromo-1-chloro-2-fluorobenzene
CAS60811-18-9
Molecular FormulaC6H3BrClF
Molecular Weight209.44
InChIInChI=1S/C6H3BrClF/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey AGYWDGVTLKNTBS-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(Br)C=C1F
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MassMS-IW-9545 4-bromo-1-chloro-2-fluorobenzene C6H3BrClF (Mass of molecular ion: 208)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 2.7 36.0 1.3 37.0 4.0 38.0 2.3 47.0 1.4 49.0 2.1 50.0 8.8 56.0 1.4 61.0 4.6 62.0 3.8 63.0 3.8 64.0 3.3 64.5 1.0 65.0 1.0 68.0 8.9 69.0 1.9 73.0 3.4 74.0 11.7 75.0 3.9 84.0 1.3 86.0 1.7 87.0 1.4 92.0 4.7 93.0 16.1 94.0 17.3 95.0 1.7 103.0 1.1 104.0 6.3 105.0 7.9 106.0 2.0 109.0 10.4 110.0 1.0 111.0 3.4 128.0 3.1 129.0 78.6 130.0 6.3 131.0 25.2 132.0 1.7 175.0 1.0 208.0 77.7 209.0 5.4 210.0 100.0 211.0 6.6 212.0 24.2 213.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 Br Cl F 0.05 ml : 0.5 ml CDCl3 4-bromo-1-chloro-2-fluorobenzene 
Assign. Shift(ppm)
A 7.295 B 7.24 C 7.208
Hz ppm Int.2920.41 7.308 655 2918.33 7.303 679 2914.92 7.294 58 2911.87 7.287 527 2911.38 7.285 532 2910.03 7.282 575 2909.55 7.281 554 2906.37 7.273 42 2903.44 7.265 385 2899.29 7.255 51 2897.71 7.251 115 2896.61 7.248 248 2896.12 7.247 292 2894.90 7.244 894 2891.85 7.236 56 2888.06 7.227 945 2887.57 7.226 801 2884.77 7.219 1000 2882.93 7.214 777 2882.32 7.213 688 2879.27 7.205 44 2875.85 7.196 320 2874.27 7.192 222 2873.78 7.191 275
in CDCl3
liquid film
