Name | Value |
---|---|
InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2 | |
LQDARGUHUSPFNL-UHFFFAOYSA-N | |
C13H11Cl2F4N3O | |
371.02153021199996 | |
FC(F)C(F)(F)OCC(C1=CC=C(Cl)C=C1Cl)CN2N=CN=C2 |
External Identifier | Value |
---|---|
112281-77-3 | |
83999 | |
C18490 | |
80277 | |
72518 |
Name | Value |
---|---|
2020.08.19 | |
LU135202 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
371.0215 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
30 | |
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 | |
17.947 min | |
0.1% formic acid | |
methanol | |
15756173.07813 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
1.3068817330607798 | |
0.5450120144470005 | |
372.0288 | |
[M+H]+ | |
1.8821446080779882 ppm | |
-7.002119999697243E-4 Da |