2-CHLORO-6-FLUOROPHENYLACETONITRILE(75279-55-9) IR1
Product Name2-CHLORO-6-FLUOROPHENYLACETONITRILE
CAS75279-55-9
Molecular FormulaC8H5ClFN
Molecular Weight169.58
InChIInChI=1S/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChIKey ZGSAFMIRVLOISC-UHFFFAOYSA-N
SmilesC1(CC#N)=C(F)C=CC=C1Cl
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MassMS-NW-9382 2-chloro-6-fluorophenylacetonitrile C8H5ClFN (Mass of molecular ion: 169)
Source Temperature: 270 °C Sample Temperature: 160 °C Reservoir, 75 eV
31.0 2.8 37.0 1.4 38.0 1.6 39.0 2.3 50.0 3.6 51.0 1.7 56.0 1.5 57.0 7.2 61.0 3.1 62.0 3.5 63.0 3.2 64.0 1.0 66.5 2.2 67.0 1.1 68.0 1.8 69.0 1.0 73.0 1.6 74.0 2.8 75.0 2.4 76.0 1.0 80.0 1.3 81.0 4.8 82.0 2.1 83.0 1.7 84.5 1.5 85.0 1.3 86.0 1.5 87.0 2.3 88.0 1.6 91.0 1.1 93.0 2.1 94.0 1.4 105.0 1.8 106.0 5.4 107.0 25.0 108.0 5.2 114.0 5.7 117.0 1.3 132.0 6.6 133.0 14.2 134.0 100.0 135.0 9.2 141.0 3.1 142.0 2.7 143.0 4.3 144.0 1.1 145.0 1.0 149.0 3.4 151.0 1.1 168.0 3.0 169.0 39.4 170.0 4.6 171.0 12.6 172.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H5 Cl F N 0.05 g : 0.5 ml CDCl3 2-chloro-6-fluorophenylacetonitrile 
Assign. Shift(ppm)
A 7.299 B 7.256 C 7.068 D 3.843
Hz ppm Int.2930.79 7.334 104 2924.93 7.319 99 2922.61 7.313 282 2916.87 7.299 274 2914.43 7.293 235 2908.81 7.279 266 2903.69 7.266 270 2902.22 7.262 387 2895.51 7.246 134 2894.53 7.243 165 2833.50 7.090 176 2832.15 7.087 170 2824.34 7.068 272 2823.00 7.064 191 2816.53 7.048 142 2814.94 7.044 142 1536.62 3.845 1000 1535.03 3.841 988
in CDCl3
KBr disc
nujol mull
