CID 12319557

2-chloroethene-1-sulfonamide

Structural Information

Molecular Formula

C₂H₄ClNO₂S

SMILES

C(=C/Cl)\S(=O)(=O)N

InChI

InChI=1S/C2H4ClNO2S/c3-1-2-7(4,5)6/h1-2H,(H2,4,5,6)/b2-1+

InChIKey

BGQLJNVNGUIJNO-OWOJBTEDSA-N

Compound name

(E)-2-chloroethenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 140.96513 Da
Monoisotopic Mass: -0.3
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]+	141.97241	122.0
[M+Na]+	163.95435	131.7
[M-H]-	139.95785	122.7
[M+NH4]+	158.99895	144.4
[M+K]+	179.92829	128.2
[M+H-H2O]+	123.96239	119.0
[M+HCOO]-	185.96333	136.8
[M+CH3COO]-	199.97898	167.8
[M+Na-2H]-	161.93980	126.8
[M]+	140.96458	123.7
[M]-	140.96568	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe