CID 11020338

89557-03-9

Structural Information

Molecular Formula

C₈H₈ClNO₂S

SMILES

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

InChI

InChI=1S/C8H8ClNO2S/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-6H,(H2,10,11,12)/b6-5+

InChIKey

LKIHLZCCUSLXAD-AATRIKPKSA-N

Compound name

(E)-2-(2-chlorophenyl)ethenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 216.99643 Da
Monoisotopic Mass: 1.6
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]+	218.00371	142.1
[M+Na]+	239.98565	151.9
[M-H]-	215.98915	146.0
[M+NH4]+	235.03025	161.7
[M+K]+	255.95959	146.4
[M+H-H2O]+	199.99369	137.7
[M+HCOO]-	261.99463	156.9
[M+CH3COO]-	276.01028	182.4
[M+Na-2H]-	237.97110	146.3
[M]+	216.99588	144.4
[M]-	216.99698	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe