2-FLUOROBENZOTRICHLORIDE(488-98-2) MS
Product Name2-FLUOROBENZOTRICHLORIDE
CAS488-98-2
Molecular FormulaC7H4Cl3F
Molecular Weight213.46
InChIInChI=1S/C7H4Cl3F/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H
InChIKey JYLVSNNSOWDQQX-UHFFFAOYSA-N
SmilesC1(F)=CC=CC=C1C(Cl)(Cl)Cl
-
MassMS-NW-7296 alpha,alpha,alpha-trichloro-o-fluorotoluene C7H4Cl3F (Mass of molecular ion: 212)
Source Temperature: 200 °C Sample Temperature: 190 °C Reservoir, 75 eV
31.0 1.2 50.0 2.1 53.0 1.2 57.0 4.9 61.0 3.0 62.0 2.1 63.0 1.2 70.5 1.6 71.0 2.9 72.0 1.4 73.0 1.2 74.0 1.4 75.0 1.5 80.0 1.6 81.0 4.6 85.0 1.3 86.0 1.1 87.0 1.0 88.5 7.0 89.5 4.5 91.0 1.8 93.0 1.0 105.0 1.6 106.0 1.1 107.0 19.9 108.0 1.7 115.0 1.3 117.0 2.0 141.0 4.5 142.0 7.0 143.0 2.7 144.0 2.4 177.0 100.0 178.0 8.2 179.0 64.4 180.0 5.3 181.0 10.9 212.0 4.0 214.0 3.9 216.0 1.2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H4 Cl3 F 0.05 ml : 0.5 ml CDCl3 alpha,alpha,alpha-trichloro-o-fluorotoluene 
Assign. Shift(ppm)
A 7.921 B 7.443 C 7.17 CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.3175.66 7.947 87 3174.93 7.945 213 3174.07 7.943 188 3173.22 7.940 328 3172.24 7.938 129 3169.68 7.932 39 3167.48 7.926 178 3166.63 7.924 422 3165.89 7.922 274 3164.92 7.920 560 3161.74 7.912 33 3160.28 7.908 32 3158.81 7.904 248 3158.45 7.904 266 3156.74 7.899 290 2986.57 7.473 176 2984.86 7.469 187 2981.93 7.462 178 2980.22 7.458 202 2979.00 7.455 208 2978.39 7.453 245 2977.42 7.451 256 2976.56 7.448 242 2974.37 7.443 238 2973.75 7.441 243 2972.66 7.439 247 2972.05 7.437 257 2970.83 7.434 258 2969.12 7.430 233 2966.19 7.422 235 2964.48 7.418 232 2875.24 7.195 256 2874.02 7.192 839 2873.41 7.190 468 2870.85 7.184 57 2867.80 7.176 260 2867.31 7.175 286 2866.46 7.173 1000 2865.23 7.170 534 2862.79 7.164 397 2861.82 7.161 300 2859.74 7.156 210 2859.01 7.154 287 2858.52 7.153 288 2857.79 7.151 244 2854.61 7.143 313 2853.39 7.140 267
in CDCl3
liquid film
4880 A,200 M,liquid
