| SpectraBase Spectrum ID |
JF4hC6BkBBg |
| Name |
3-(Trifluoromethyl)benzyl bromide |
| CAS Registry Number |
402-23-3 |
| 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 |
237.960497682 u |
| Formula |
C8H6BrF3 |
| InChI |
InChI=1S/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2 |
| InChIKey |
MYYYZNVAUZVXBO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
239.035 g/mol |
| Nominal Mass |
238 u |
| Quality |
983 |
| Retention Index |
1085 |
| SMILES |
C(C1=CC(=CC=C1)CBr)(F)(F)F |
| SPLASH |
splash10-0a4i-8900000000-b58b0a0d6e02be2fa789 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
m-Trifluoromethylbenzyl bromide
1-(bromomethyl)-3-(trifluoromethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032538 |
