SpectraBase Spectrum ID |
LLVGtU5ZLoa |
Name |
Pyridate |
CAS Registry Number |
55512-33-9 |
Collision Energy |
50 eV |
Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
Exact Mass |
378.116876861 u |
Formula |
C19H23ClN2O2S |
InChI |
InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3 |
InChIKey |
JTZCTMAVMHRNTR-UHFFFAOYSA-N |
Instrument Name |
QStar XL, AB Sciex |
Ion Polarity |
P |
Ionization Type |
ESI+ |
Molecular Weight |
378.918 g/mol |
Nominal Mass |
378 u |
Precursor Ion |
[M+H]+ |
Precursor m/z |
379.124 |
SMILES |
C1(Cl)=NN=C(C(OC(SCCCCCCCC)=O)=C1)C1=CC=CC=C1 |
Selected Ion Charge |
1 |
Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
Spectrum Type |
ms2 |
Synonyms |
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate |
Technique |
Q-TOF |
Wiley ID |
MSforID_+_818.10 |