CID 25323242

950114-74-6

Structural Information

Molecular Formula
C11H8ClF3N2O2
SMILES
C1C(=O)NC2=C(N1C(=O)CCl)C=CC(=C2)C(F)(F)F
InChI
InChI=1S/C11H8ClF3N2O2/c12-4-10(19)17-5-9(18)16-7-3-6(11(13,14)15)1-2-8(7)17/h1-3H,4-5H2,(H,16,18)
InChIKey
YESRDQRPLUOUDE-UHFFFAOYSA-N
Compound name
4-(2-chloroacetyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.02264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02992 157.9
[M+Na]+ 315.01186 167.8
[M-H]- 291.01536 154.4
[M+NH4]+ 310.05646 172.1
[M+K]+ 330.98580 161.6
[M+H-H2O]+ 275.01990 149.1
[M+HCOO]- 337.02084 165.0
[M+CH3COO]- 351.03649 196.0
[M+Na-2H]- 312.99731 161.2
[M]+ 292.02209 153.7
[M]- 292.02319 153.7
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.