| SpectraBase Spectrum ID |
JEpKm3zQGPI |
| Name |
1-(3-Chlorophenyl)piperazine 2TFA |
| Classification |
Piperazine derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
388.041324278 u |
| Formula |
C14H11ClF6N2O2 |
| InChI |
InChI=1S/C14H11ClF6N2O2/c15-8-1-2-9(11(24)13(16,17)18)10(7-8)22-3-5-23(6-4-22)12(25)14(19,20)21/h1-2,7H,3-6H2 |
| InChIKey |
PYMVKBLSDNKJEH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
388.697 g/mol |
| Nominal Mass |
388 u |
| Quality |
985 |
| Retention Index |
2182 |
| SMILES |
C=1(C(C(C(F)(F)F)=O)=CC=C(C1)Cl)N1CCN(C(C(F)(F)F)=O)CC1 |
| SPLASH |
splash10-014i-4419000000-90211074bc14a9ad3465 |
| Sample Comments |
TFA position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-(5-chloro-2-(trifluoroacetyl)phenyl)piperazin-1-yl)-2,2,2-trifluoroethan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005800 |
