Name | Value |
---|---|
InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H | |
BAYGVMXZJBFEMB-UHFFFAOYSA-N | |
C7H5F3O | |
162.02924944 | |
FC(F)(F)C1=CC=C(O)C=C1 |
External Identifier | Value |
---|---|
402-45-9 | |
42578 | |
67874 | |
61191 |
Name | Value |
---|---|
AU200951 | |
2016.02.27 | |
Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2016 Department of Chemistry, University of Athens | |
162.0292494 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
10 eV | |
35000 | |
Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo | |
99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min | |
200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min | |
8.161 min | |
90:10 water:methanol with 5mM ammonium acetate | |
methanol with 5mM ammonium acetate | |
identity on assigned fragments and MS1 | |
RMassBank 1.99.10 | |
negative | |
0.25802218788048903 | |
0.23486191674890086 | |
161.022 | |
[M-H]- | |
0.16494640471917452 ppm | |
2.6559999980690918E-5 Da |