Name | Value |
---|---|
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18) | |
VHOGYURTWQBHIL-UHFFFAOYSA-N | |
C12H9F3N2O2 | |
270.061612188 | |
O=C(NC1=CC=C(C=C1)C(F)(F)F)C=2C=NOC2C |
External Identifier | Value |
---|---|
75706-12-6 | |
6402 | |
C07905 | |
3899 | |
3762 |
Name | Value |
---|---|
LU136652 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
270.0616 | |
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 | |
17.631 min | |
0.1% formic acid | |
methanol | |
151415194.707 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.8389114471032824 | |
0.4034311281602965 | |
269.0543 | |
[M-H]- | |
0.1345007309830763 ppm | |
-3.618800002413991E-5 Da |