CID 9991603

159215-12-0

Structural Information

Molecular Formula

C₈H₈ClNO₃S

SMILES

C1=CC=C(C=C1)NC(=O)CS(=O)(=O)Cl

InChI

InChI=1S/C8H8ClNO3S/c9-14(12,13)6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)

InChIKey

RGNGTAQLFUHOTI-UHFFFAOYSA-N

Compound name

2-anilino-2-oxoethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 232.99135 Da
Monoisotopic Mass: 1.8
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]+	233.998626	144.8
[M+Na]+	255.980568	153.2
[M-H]-	231.984074	148.9
[M+NH4]+	251.025173	163.5
[M+K]+	271.954508	149.1
[M+H-H2O]+	215.988610	140.0
[M+HCOO]-	277.989551	159.5
[M+CH3COO]-	292.005201	184.8
[M+Na-2H]-	253.966016	149.9
[M]+	232.99080142	148.6
[M]-	232.99189858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe