CID 389437

Nsc685519

Structural Information

Molecular Formula
C11H9F3N2O
SMILES
CCC1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O
InChI
InChI=1S/C11H9F3N2O/c1-2-7-10(17)16-9-5-6(11(12,13)14)3-4-8(9)15-7/h3-5H,2H2,1H3,(H,16,17)
InChIKey
ACSPKHXQZGBQGL-UHFFFAOYSA-N
Compound name
3-ethyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

242.0667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07398 149.8
[M+Na]+ 265.05592 161.2
[M-H]- 241.05942 147.2
[M+NH4]+ 260.10052 165.7
[M+K]+ 281.02986 155.6
[M+H-H2O]+ 225.06396 140.4
[M+HCOO]- 287.06490 165.0
[M+CH3COO]- 301.08055 190.2
[M+Na-2H]- 263.04137 156.4
[M]+ 242.06615 146.3
[M]- 242.06725 146.3
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.