CID 10512110

6-chloro-1h-benzimidazole-2-carboxylic acid

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)C(=O)O
InChI
InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
NZIHMSYSZRFUQJ-UHFFFAOYSA-N
Compound name
6-chloro-1H-benzimidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1783
Patents

196.00395 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.011226 135.3
[M+Na]+ 218.993168 147.2
[M-H]- 194.996674 135.6
[M+NH4]+ 214.037773 154.7
[M+K]+ 234.967108 141.9
[M+H-H2O]+ 179.001210 129.8
[M+HCOO]- 241.002151 151.7
[M+CH3COO]- 255.017801 148.8
[M+Na-2H]- 216.978616 141.6
[M]+ 196.00340142 137.4
[M]- 196.00449858 137.4
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