CID 285323

66367-05-3

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
C1C(=O)NC2=C(N1)C=CC(=C2)Cl
InChI
InChI=1S/C8H7ClN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
InChIKey
FYSLFQDLMDRXNP-UHFFFAOYSA-N
Compound name
7-chloro-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

182.02469 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.031966 134.7
[M+Na]+ 205.013908 144.0
[M-H]- 181.017414 133.6
[M+NH4]+ 200.058513 152.6
[M+K]+ 220.987848 138.0
[M+H-H2O]+ 165.021950 128.8
[M+HCOO]- 227.022891 146.7
[M+CH3COO]- 241.038541 146.5
[M+Na-2H]- 202.999356 141.8
[M]+ 182.02414142 130.9
[M]- 182.02523858 130.9
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