CID 22616293

1094671-87-0

Structural Information

Molecular Formula

C₉H₉N₃O₂S

SMILES

C1=CC=C(C(=C1)N2C=CN=C2)S(=O)(=O)N

InChI

InChI=1S/C9H9N3O2S/c10-15(13,14)9-4-2-1-3-8(9)12-6-5-11-7-12/h1-7H,(H2,10,13,14)

InChIKey

PVZMUQOQLLVSKN-UHFFFAOYSA-N

Compound name

2-imidazol-1-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 223.04155 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]+	224.04883	146.2
[M+Na]+	246.03077	156.4
[M-H]-	222.03427	151.0
[M+NH4]+	241.07537	163.7
[M+K]+	262.00471	152.5
[M+H-H2O]+	206.03881	139.1
[M+HCOO]-	268.03975	165.1
[M+CH3COO]-	282.05540	184.3
[M+Na-2H]-	244.01622	150.7
[M]+	223.04100	147.3
[M]-	223.04210	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe