| SpectraBase Compound ID | KBDjj6BBdPr |
|---|---|
| InChI | InChI=1S/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H |
| InChIKey | AFMPMSCZPVNPEM-UHFFFAOYSA-N |
| Mol Weight | 182.02 g/mol |
| Molecular Formula | C7H4BrN |
| Exact Mass | 180.952712 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GU1ddIOjg5A |
|---|---|
| Name | 2-Bromobenzonitrile |
| CAS Registry Number | 2042-37-7 |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 180.952712133 u |
| Formula | C7H4BrN |
| InChI | InChI=1S/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H |
| InChIKey | AFMPMSCZPVNPEM-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 182.020 g/mol |
| Nominal Mass | 181 u |
| Quality | 1000 |
| Retention Index | 1187 |
| SMILES | C1(=C(C=CC=C1)Br)C#N |
| SPLASH | splash10-0f89-6900000000-466543f18c6a44f61ddc |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Wiley ID | DD2024_024411 |