Name | Value |
---|---|
InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24) | |
CJDWRQLODFKPEL-UHFFFAOYSA-N | |
C14H6Cl2F4N2O2 | |
379.974245672 | |
FC1=CC=CC(F)=C1C(O)=NC(O)=NC2=CC(Cl)=C(F)C(Cl)=C2F |
External Identifier | Value |
---|---|
83121-18-0 | |
39387 | |
91734 | |
82833 |
Name | Value |
---|---|
EA293107 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
379.9742 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
90 % (nominal) | |
7500 | |
XBridge C18 3.5um, 2.1x50mm, Waters | |
90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min | |
200 ul/min | |
16.1 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
Spline | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 1.3.1 | |
positive | |
0.1640168961646175 | |
0.23662636271869372 | |
380.9815 | |
[M+H]+ | |
1.8784954125398374 ppm | |
-7.15672000012546E-4 Da |