CID 491326

5-chloro-6-methoxy-3-(trifluoromethyl)-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C10H6ClF3N2O2
SMILES
COC1=C(C2=C(C=C1)NC(=O)C(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C10H6ClF3N2O2/c1-18-5-3-2-4-7(6(5)11)16-8(9(17)15-4)10(12,13)14/h2-3H,1H3,(H,15,17)
InChIKey
RGDPVBCOCNVRAF-UHFFFAOYSA-N
Compound name
5-chloro-6-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.007 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.01428 152.4
[M+Na]+ 300.99622 165.6
[M-H]- 276.99972 150.1
[M+NH4]+ 296.04082 167.8
[M+K]+ 316.97016 159.3
[M+H-H2O]+ 261.00426 143.7
[M+HCOO]- 323.00520 163.4
[M+CH3COO]- 337.02085 194.3
[M+Na-2H]- 298.98167 158.5
[M]+ 278.00645 152.4
[M]- 278.00755 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.