CID 3159944

53439-87-5

Structural Information

Molecular Formula

C₇H₅ClN₂O₃S

SMILES

C1=CC2=C(C=C1S(=O)(=O)Cl)NC(=O)N2

InChI

InChI=1S/C7H5ClN2O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)

InChIKey

OFWLWHNQAUHHGZ-UHFFFAOYSA-N

Compound name

2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 231.97095 Da
Monoisotopic Mass: 0.6
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]+	232.97823	144.9
[M+Na]+	254.96017	157.8
[M+NH4]+	250.00477	151.9
[M+K]+	270.93411	152.6
[M-H]-	230.96367	143.6
[M+Na-2H]-	252.94562	149.3
[M]+	231.97040	146.9
[M]-	231.97150	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe