Name | Value |
---|---|
InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H | |
ZFVMWEVVKGLCIJ-UHFFFAOYSA-N | |
C15H10F6O2 | |
336.05849888 | |
FC(F)(F)C(C1=CC=C(O)C=C1)(C2=CC=C(O)C=C2)C(F)(F)F |
External Identifier | Value |
---|---|
1478-61-1 | |
72754 | |
C14350 | |
73864 | |
66498 |
Name | Value |
---|---|
LU038053 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
336.0585 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
45 | |
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 | |
17.625 min | |
0.1% formic acid | |
methanol | |
51122623.20117 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.9943356569701799 | |
0.32168295064659075 | |
335.0512 | |
[M-H]- | |
0.06828807065089415 ppm | |
-2.2880000017266866E-5 Da |