CID 15259931

1-cyanoethanesulfonyl chloride

Structural Information

Molecular Formula

C₃H₄ClNO₂S

SMILES

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

InChI

InChI=1S/C3H4ClNO2S/c1-3(2-5)8(4,6)7/h3H,1H3

InChIKey

SRCZKNRKHJHVCD-UHFFFAOYSA-N

Compound name

1-cyanoethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 152.96513 Da
Monoisotopic Mass: 0.6
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]+	153.97241	122.9
[M+Na]+	175.95435	132.8
[M+NH4]+	170.99895	127.4
[M+K]+	191.92829	124.5
[M-H]-	151.95785	114.5
[M+Na-2H]-	173.93980	124.3
[M]+	152.96458	121.6
[M]-	152.96568	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe