CID 228459

1h-1,3-benzodiazole-2-sulfonamide

Structural Information

Molecular Formula

C₇H₇N₃O₂S

SMILES

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

InChI

InChI=1S/C7H7N3O2S/c8-13(11,12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H2,8,11,12)

InChIKey

XRGHQBXKSHAQRB-UHFFFAOYSA-N

Compound name

1H-benzimidazole-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 258
Patents: 197.0259 Da
Monoisotopic Mass: 0.2
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]+	198.033176	137.8
[M+Na]+	220.015118	149.4
[M-H]-	196.018624	139.2
[M+NH4]+	215.059723	157.0
[M+K]+	235.989058	145.0
[M+H-H2O]+	180.023160	132.2
[M+HCOO]-	242.024101	155.5
[M+CH3COO]-	256.039751	177.3
[M+Na-2H]-	218.000566	144.6
[M]+	197.02535142	139.2
[M]-	197.02644858	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe