CID 1572160

1h-benzimidazole-2-sulfonic acid

Structural Information

Molecular Formula

C₇H₆N₂O₃S

SMILES

C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)O

InChI

InChI=1S/C7H6N2O3S/c10-13(11,12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H,10,11,12)

InChIKey

GWXQTTKUYBEZBP-UHFFFAOYSA-N

Compound name

1H-benzimidazole-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 656
Patents: 198.00992 Da
Monoisotopic Mass: 0.3
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]+	199.01720	138.3
[M+Na]+	220.99914	150.1
[M+NH4]+	216.04374	145.3
[M+K]+	236.97308	145.7
[M-H]-	197.00264	137.1
[M+Na-2H]-	218.98459	143.0
[M]+	198.00937	139.9
[M]-	198.01047	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe