CID 262499

43215-10-7

Structural Information

Molecular Formula

C₈H₈N₂O₂S

SMILES

CS(=O)(=O)N1C=NC2=CC=CC=C21

InChI

InChI=1S/C8H8N2O2S/c1-13(11,12)10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3

InChIKey

XWGLWTLUQQRMOS-UHFFFAOYSA-N

Compound name

1-methylsulfonylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 39
Patents: 196.03065 Da
Monoisotopic Mass: 1.1
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]+	197.03793	139.2
[M+Na]+	219.01987	152.4
[M+NH4]+	214.06447	147.4
[M+K]+	234.99381	146.6
[M-H]-	195.02337	139.5
[M+Na-2H]-	217.00532	145.3
[M]+	196.03010	141.7
[M]-	196.03120	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe