2,6-Difluorobenzyl bromide(85118-00-9) MS
Product Name2,6-Difluorobenzyl bromide
CAS85118-00-9
Molecular FormulaC7H5BrF2
Molecular Weight207.02
InChIInChI=1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey LSXJPJGBWSZHTM-UHFFFAOYSA-N
SmilesC1(F)=CC=CC(F)=C1CBr
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MassMS-KW-0417 alpha-bromo-2,6-difluorotoluene C7H5BrF2 (Mass of molecular ion: 206)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.2 50.0 1.5 51.0 1.9 57.0 3.0 63.0 1.4 63.5 1.6 75.0 2.3 77.0 4.0 81.0 2.1 93.0 1.0 94.0 1.0 101.0 7.5 107.0 4.2 125.0 3.3 126.0 1.9 127.0 100.0 128.0 7.8 206.0 3.3 208.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7H5BrF2 0.040 g : 0.5 ml CDCl3 alpha-bromo-2,6-difluorotoluene 
Assign. Shift(ppm)
A 7.279 B 6.906 C 4.531
Hz ppm Int.2925.18 7.317 74 2918.71 7.301 150 2916.75 7.296 125 2912.24 7.285 90 2910.28 7.280 295 2908.33 7.275 99 2903.81 7.264 124 2901.86 7.259 176 2895.39 7.243 86 2772.71 6.936 52 2771.12 6.932 71 2767.71 6.924 382 2764.04 6.914 65 2762.70 6.911 86 2760.26 6.905 439 2756.96 6.897 74 2755.38 6.893 56 2751.84 6.884 325 2748.42 6.875 47 2746.95 6.872 37 1812.14 4.533 636 1811.16 4.531 1000 1810.06 4.528 593
in CDCl3
KBr disk
