Name | Value |
---|---|
InChI=1S/C15H11ClFNO3S/c16-14-10-12(17)6-7-13(14)15(19)18-22(20,21)9-8-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b9-8+ | |
AUMLVMKWJGCERZ-CMDGGOBGSA-N | |
C15H11ClFNO3S | |
339.013220112 | |
O=S(=O)(N=C(O)C1=CC=C(F)C=C1Cl)C=CC=2C=CC=CC2 |
External Identifier | Value |
---|---|
15603288 | |
13078769 |
Name | Value |
---|---|
LU073656 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
339.0132 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
90 | |
17500 | |
Acquity BEH C18 1.7um, 2.1x150mm (Waters) | |
90/10 at 0-2 min, 0/100 at 15-20 min, 90/10 at 20.1-30 min | |
0.20 mL/min | |
16.712 min | |
0.1% formic acid | |
methanol | |
15636281.86719 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
1.5865850239717274 | |
0.6011938453049944 | |
338.0059 | |
[M-H]- | |
0.130506597701 ppm | |
-4.411200001186444E-5 Da |