| SpectraBase Compound ID | L4ybG5yh2Qv |
|---|---|
| InChI | InChI=1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 |
| InChIKey | QZVQQUVWFIZUBQ-UHFFFAOYSA-N |
| Mol Weight | 111.12 g/mol |
| Molecular Formula | C6H6FN |
| Exact Mass | 111.048427 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8KHeOKeQ2eO |
|---|---|
| Name | 3-Fluoroaniline |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 111.048427360 u |
| Formula | C6H6FN |
| InChI | InChI=1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 |
| InChIKey | QZVQQUVWFIZUBQ-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 111.119 g/mol |
| Nominal Mass | 111 u |
| Quality | 996 |
| Retention Index | 874 |
| SMILES | C1(N)=CC(=CC=C1)F |
| SPLASH | splash10-03di-9800000000-5b5736083bc526a6ac7f |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Wiley ID | DD2024_028447 |