CID 491324

2(1h)-quinoxalinone, 6-methoxy-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C10H7F3N2O2
SMILES
COC1=CC2=C(C=C1)NC(=O)C(=N2)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O2/c1-17-5-2-3-6-7(4-5)14-8(9(16)15-6)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKey
QNSDUAXOFPWEBD-UHFFFAOYSA-N
Compound name
6-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

244.04596 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05324 148.3
[M+Na]+ 267.03518 160.0
[M-H]- 243.03868 145.8
[M+NH4]+ 262.07978 163.9
[M+K]+ 283.00912 155.2
[M+H-H2O]+ 227.04322 138.9
[M+HCOO]- 289.04416 164.0
[M+CH3COO]- 303.05981 189.3
[M+Na-2H]- 265.02063 155.5
[M]+ 244.04541 145.8
[M]- 244.04651 145.8
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

patents stripe