| SpectraBase Compound ID | Db46GE1bb16 |
|---|---|
| InChI | InChI=1S/C9H11ClFN/c1-6(12)4-7-5-8(10)2-3-9(7)11/h2-3,5-6H,4,12H2,1H3 |
| InChIKey | NQCAWGLACPFDSP-UHFFFAOYSA-N |
| Mol Weight | 187.65 g/mol |
| Molecular Formula | C9H11ClFN |
| Exact Mass | 187.056405 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ArPC1cyzzl9 |
|---|---|
| Name | 5-Chloro-2-fluoroamphetamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.056405221 u |
| Formula | C9H11ClFN |
| InChI | InChI=1S/C9H11ClFN/c1-6(12)4-7-5-8(10)2-3-9(7)11/h2-3,5-6H,4,12H2,1H3 |
| InChIKey | NQCAWGLACPFDSP-UHFFFAOYSA-N |
| Molecular Weight | 187.645 g/mol |
| SMILES | C=1(C(=CC=C(C1)Cl)F)CC(N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871144 |