| SpectraBase Spectrum ID |
JF53b4nawam |
| Name |
3-Fluorobenzyl bromide |
| CAS Registry Number |
456-41-7 |
| 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 |
187.963691356 u |
| Formula |
C7H6BrF |
| InChI |
InChI=1S/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 |
| InChIKey |
SCBZBMXPJYMXRC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
189.027 g/mol |
| Nominal Mass |
188 u |
| Quality |
986 |
| Retention Index |
1077 |
| SMILES |
C=1(C=C(C=CC1)F)CBr |
| SPLASH |
splash10-0a4i-3900000000-168796fbc9c4abf69668 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzene,1-(bromomethyl)-3-fluoro
1-(Bromomethyl)-3-fluorobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_020493 |
