CID 21330264

2-cyanoethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₄ClNO₂S

SMILES

C(CS(=O)(=O)Cl)C#N

InChI

InChI=1S/C3H4ClNO2S/c4-8(6,7)3-1-2-5/h1,3H2

InChIKey

NKBBONIJZUUWAR-UHFFFAOYSA-N

Compound name

2-cyanoethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 152.96513 Da
Monoisotopic Mass: 0.1
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]+	153.97241	130.3
[M+Na]+	175.95435	142.0
[M-H]-	151.95785	132.7
[M+NH4]+	170.99895	150.9
[M+K]+	191.92829	140.0
[M+H-H2O]+	135.96239	120.9
[M+HCOO]-	197.96333	141.8
[M+CH3COO]-	211.97898	183.1
[M+Na-2H]-	173.93980	135.1
[M]+	152.96458	129.8
[M]-	152.96568	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe