3-Fluorobenzonitrile(403-54-3) MS
Product Name3-Fluorobenzonitrile
CAS403-54-3
Molecular FormulaC7H4FN
Molecular Weight121.11
InChIInChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChIKey JZTPKAROPNTQQV-UHFFFAOYSA-N
SmilesC(#N)C1=CC=CC(F)=C1
-
MassMS-NW-6452 m-fluorobenzonitrile C7H4FN (Mass of molecular ion: 121)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
31.0 2.8 37.0 2.5 38.0 1.7 39.0 3.0 44.0 1.0 46.0 1.1 49.0 1.4 50.0 7.3 51.0 2.4 57.0 4.0 60.5 1.7 61.0 1.5 62.0 1.0 63.0 1.6 64.0 1.0 68.0 3.1 69.0 2.4 70.0 4.9 73.0 1.4 74.0 2.3 75.0 5.3 76.0 3.0 81.0 1.4 88.0 1.0 93.0 1.9 94.0 25.9 95.0 5.7 99.0 1.0 100.0 2.2 101.0 1.3 120.0 1.4 121.0 100.0 122.0 8.5
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H4 F N 0.05 ml : 0.5 ml CDCl3 m-fluorobenzonitrile 
Assign. Shift(ppm)
A 7.52 to 7.49 B 7.36 C 7.35
Hz ppm Int.3013.31 7.540 117 3012.21 7.538 120 3008.18 7.528 121 3007.08 7.525 145 3005.62 7.521 333 3004.76 7.519 349 3000.49 7.508 381 2999.88 7.507 403 2998.41 7.503 430 2997.31 7.500 527 2996.34 7.498 666 2994.75 7.494 888 2993.90 7.492 1000 2988.65 7.479 224 2987.18 7.475 286 2985.72 7.471 136 2949.71 7.381 267 2948.12 7.377 789 2946.90 7.374 767 2943.12 7.365 166 2940.80 7.359 474 2939.70 7.356 794 2938.60 7.353 807 2937.26 7.350 672 2934.94 7.344 196 2933.35 7.340 272 2930.54 7.333 332 2927.86 7.327 240
in CDCl3
liquid film
