CID 491322

8-amino-3-(trifluoromethyl)-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C9H6F3N3O
SMILES
C1=CC(=C2C(=C1)N=C(C(=O)N2)C(F)(F)F)N
InChI
InChI=1S/C9H6F3N3O/c10-9(11,12)7-8(16)15-6-4(13)2-1-3-5(6)14-7/h1-3H,13H2,(H,15,16)
InChIKey
GMTPTGCEVGFTQX-UHFFFAOYSA-N
Compound name
8-amino-3-(trifluoromethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.0463 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05358 144.9
[M+Na]+ 252.03552 156.3
[M-H]- 228.03902 142.1
[M+NH4]+ 247.08012 160.7
[M+K]+ 268.00946 150.8
[M+H-H2O]+ 212.04356 135.7
[M+HCOO]- 274.04450 161.2
[M+CH3COO]- 288.06015 188.6
[M+Na-2H]- 250.02097 152.0
[M]+ 229.04575 139.1
[M]- 229.04685 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.