CID 67151278

1301214-58-3

Structural Information

Molecular Formula
C8H5ClN2O3
SMILES
C1=C(C=C(C2=C1NC(=O)N2)Cl)C(=O)O
InChI
InChI=1S/C8H5ClN2O3/c9-4-1-3(7(12)13)2-5-6(4)11-8(14)10-5/h1-2H,(H,12,13)(H2,10,11,14)
InChIKey
LQFOELDGFDCQMH-UHFFFAOYSA-N
Compound name
7-chloro-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

211.99887 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00615 137.9
[M+Na]+ 234.98809 150.4
[M-H]- 210.99159 137.2
[M+NH4]+ 230.03269 156.1
[M+K]+ 250.96203 144.2
[M+H-H2O]+ 194.99613 133.0
[M+HCOO]- 256.99707 153.1
[M+CH3COO]- 271.01272 176.2
[M+Na-2H]- 232.97354 143.1
[M]+ 211.99832 139.3
[M]- 211.99942 139.3
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