SpectraBase Spectrum ID |
8IInpf3FPBQ |
Name |
Sertraline-M/A (-NH2-4H) |
Classification |
Pharmaceutical drug metabolite |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
272.015955722 u |
Formula |
C16H10Cl2 |
InChI |
InChI=1S/C16H10Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H |
InChIKey |
XXZDWAQTCMYQNE-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
273.162 g/mol |
Nominal Mass |
272 u |
Quality |
975 |
Retention Index |
1977 |
SMILES |
C=1(C=2C(C=CC1)=CC=CC2)C1=CC(=C(C=C1)Cl)Cl |
SPLASH |
splash10-0uk9-4590000000-0f4ed843ac5f60b22f7f |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(3,4-dichlorophenyl)naphthalene |
Technique |
GC/MS |
Wiley ID |
DD2024_033631 |