CID 223131

5-chloro-1,3-dihydro-2h-benzimidazol-2-one

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
C1=CC2=C(C=C1Cl)NC(=O)N2
InChI
InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKey
QIGIQLYKEULMQQ-UHFFFAOYSA-N
Compound name
5-chloro-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

169
Patents

168.00903 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01631 128.3
[M+Na]+ 190.99825 141.1
[M-H]- 167.00175 128.5
[M+NH4]+ 186.04285 149.0
[M+K]+ 206.97219 134.9
[M+H-H2O]+ 151.00629 123.0
[M+HCOO]- 213.00723 145.8
[M+CH3COO]- 227.02288 142.4
[M+Na-2H]- 188.98370 136.2
[M]+ 168.00848 129.2
[M]- 168.00958 129.2
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