2-Fluorobenzoyl chloride(393-52-2) MS
Product Name2-Fluorobenzoyl chloride
CAS393-52-2
Molecular FormulaC7H4ClFO
Molecular Weight158.56
InChIInChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
InChIKey RAAGZOYMEQDCTD-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC=CC=C1F
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MassMS-NW-7784 o-fluorobenzoyl chloride C7H4ClFO (Mass of molecular ion: 158)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.1 31.0 1.5 37.0 2.2 38.0 1.7 39.0 1.3 47.5 2.2 49.0 1.3 50.0 6.8 51.0 3.2 57.0 1.1 61.0 1.7 61.5 6.4 62.0 2.0 63.0 1.3 68.0 4.3 69.0 5.3 74.0 4.2 75.0 18.6 76.0 1.6 93.0 1.4 94.0 3.6 95.0 40.1 96.0 2.7 123.0 100.0 124.0 7.8 158.0 4.0 160.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H4 Cl F O 0.05 ml : 0.5 ml CDCl3 o-fluorobenzoyl chloride 
Assign. Shift(ppm)
A 8.110 B 7.680 C 7.323 D 7.197
Hz ppm Int.3249.88 8.132 571 3248.17 8.128 577 3241.94 8.112 758 3240.84 8.110 735 3240.11 8.108 715 3234.62 8.094 591 3232.91 8.090 589 3080.93 7.710 327 3079.10 7.705 322 3076.05 7.697 345 3074.22 7.693 402 3073.49 7.691 451 3072.63 7.689 437 3071.66 7.686 435 3070.80 7.684 401 3068.60 7.679 427 3067.75 7.677 433 3066.77 7.674 442 3065.92 7.672 440 3065.19 7.670 443 3063.35 7.666 389 3060.30 7.658 382 3058.47 7.653 370 2934.57 7.343 612 2933.47 7.341 633 2930.18 7.332 55 2926.76 7.324 983 2926.27 7.323 1000 2925.66 7.321 947 2919.07 7.305 525 2918.09 7.302 537 2915.16 7.295 32 2886.23 7.222 650 2885.13 7.220 617 2877.81 7.201 621 2876.71 7.199 611 2875.37 7.195 676 2874.27 7.192 638 2866.94 7.174 588 2865.84 7.171 568
in CDCl3
liquid film
