CID 13665708

109130-26-9

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC(=CC=C1N2C=CNC2=O)Cl
InChI
InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13)
InChIKey
ZJEUTBPRMMQJLK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1H-imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

194.02469 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 136.9
[M+Na]+ 217.013908 148.0
[M-H]- 193.017414 140.2
[M+NH4]+ 212.058513 155.7
[M+K]+ 232.987848 142.5
[M+H-H2O]+ 177.021950 129.9
[M+HCOO]- 239.022891 155.2
[M+CH3COO]- 253.038541 150.5
[M+Na-2H]- 214.999356 142.5
[M]+ 194.02414142 137.5
[M]- 194.02523858 137.5
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

patents stripe