CID 493572

3-methyl-7-(trifluoromethyl)-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C10H7F3N2O
SMILES
CC1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O
InChI
InChI=1S/C10H7F3N2O/c1-5-9(16)15-8-4-6(10(11,12)13)2-3-7(8)14-5/h2-4H,1H3,(H,15,16)
InChIKey
QVBCXXWMNSIAGY-UHFFFAOYSA-N
Compound name
3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

228.05104 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05832 145.1
[M+Na]+ 251.04026 156.9
[M-H]- 227.04376 142.7
[M+NH4]+ 246.08486 161.5
[M+K]+ 267.01420 151.6
[M+H-H2O]+ 211.04830 135.9
[M+HCOO]- 273.04924 160.6
[M+CH3COO]- 287.06489 187.2
[M+Na-2H]- 249.02571 152.2
[M]+ 228.05049 141.2
[M]- 228.05159 141.2
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