| SpectraBase Spectrum ID |
JGucQPIliPw |
| Name |
1-(Chloromethyl)-4-(trifluoromethyl)benzene |
| CAS Registry Number |
705-29-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
194.011012382 u |
| Formula |
C8H6ClF3 |
| InChI |
InChI=1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2 |
| InChIKey |
MCHDHQVROPEJJT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
194.584 g/mol |
| Nominal Mass |
194 u |
| Quality |
997 |
| Retention Index |
1207 |
| SMILES |
C(C1=CC=C(C=C1)CCl)(F)(F)F |
| SPLASH |
splash10-0a4i-1900000000-76cc4f8899108f0adf11 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzene,1-(chloromethyl)-3-(trifluoromethyl) |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032168 |
