CID 174071

64900-65-8

Structural Information

Molecular Formula

C₇H₄ClNO₃S

SMILES

C1=CC=C(C(=C1)S(=O)(=O)N=C=O)Cl

InChI

InChI=1S/C7H4ClNO3S/c8-6-3-1-2-4-7(6)13(11,12)9-5-10/h1-4H

InChIKey

LALCDSDHLXWTTL-UHFFFAOYSA-N

Compound name

2-chloro-N-(oxomethylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 363
Patents: 216.96004 Da
Monoisotopic Mass: 2.5
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]+	217.96732	139.1
[M+Na]+	239.94926	149.9
[M-H]-	215.95276	145.2
[M+NH4]+	234.99386	159.5
[M+K]+	255.92320	145.9
[M+H-H2O]+	199.95730	134.5
[M+HCOO]-	261.95824	156.8
[M+CH3COO]-	275.97389	183.8
[M+Na-2H]-	237.93471	145.5
[M]+	216.95949	144.7
[M]-	216.96059	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe