| SpectraBase Compound ID | Go7UY13spFB |
|---|---|
| InChI | InChI=1S/C19H12F14N2O2/c1-8(34-12(36)14(20,21)16(24,25)18(28,29)30)6-9-2-3-11-10(7-9)4-5-35(11)13(37)15(22,23)17(26,27)19(31,32)33/h2-5,7-8H,6H2,1H3,(H,34,36) |
| InChIKey | ZSUFQVQNGFLPMJ-UHFFFAOYSA-N |
| Mol Weight | 566.29 g/mol |
| Molecular Formula | C19H12F14N2O2 |
| Exact Mass | 566.067522 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GXA005i27Bg |
|---|---|
| Name | 5-APIN 2HFB |
| Classification | 5-Aminoethyindol designer drug derivative |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 566.067521914 u |
| Formula | C19H12F14N2O2 |
| InChI | InChI=1S/C19H12F14N2O2/c1-8(34-12(36)14(20,21)16(24,25)18(28,29)30)6-9-2-3-11-10(7-9)4-5-35(11)13(37)15(22,23)17(26,27)19(31,32)33/h2-5,7-8H,6H2,1H3,(H,34,36) |
| InChIKey | ZSUFQVQNGFLPMJ-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 566.295 g/mol |
| Nominal Mass | 566 u |
| Quality | 992 |
| Retention Index | 2358 |
| SMILES | C(C(C(N1C2=C(C=C(CC(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C)C=C2)C=C1)=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH | splash10-0fb9-3917000000-8b43f8aa45ebe22fe19d |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 5-API 2HFB 5-IT 2HFB 1-Heptafluorobutyryl-5-(N-heptafluorobutyryl-2-aminopropyl)indole |
| Technique | GC/MS |
| Wiley ID | DD2024_016375 |