| SpectraBase Spectrum ID |
DmelDT9dSTI |
| Name |
2C-TFE isothiocyanate |
| Classification |
Phenethylamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
305.069734356 u |
| Formula |
C13H14F3NO2S |
| InChI |
InChI=1S/C13H14F3NO2S/c1-18-11-6-10(7-13(14,15)16)12(19-2)5-9(11)3-4-17-8-20/h5-6H,3-4,7H2,1-2H3 |
| InChIKey |
PDXQEPCTBFHKLP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
305.315 g/mol |
| Nominal Mass |
305 u |
| Quality |
978 |
| Retention Index |
2183 |
| SMILES |
C1(=C(C=C(C(=C1)CCN=C=S)OC)CC(F)(F)F)OC |
| SPLASH |
splash10-053r-2593000000-264b7c5c16402db92f21 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-(2,2,2-Trifluoroethyl)-2,5-dimethoxyphenyl)-1-isothiocyanatoethane
1-(2-isothiocyanatoethyl)-2,5-dimethoxy-4-(2,2,2-trifluoroethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016897 |
