CID 10512110

39811-14-8

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: 2126
Patents: 196.00395 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.01123	135.5
[M+Na]+	218.99317	149.3
[M+NH4]+	214.03777	143.3
[M+K]+	234.96711	145.4
[M-H]-	194.99667	135.3
[M+Na-2H]-	216.97862	141.1
[M]+	196.00340	137.5
[M]-	196.00450	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe