CID 12495224

1-chloroethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₂H₄Cl₂O₂S

SMILES

CC(S(=O)(=O)Cl)Cl

InChI

InChI=1S/C2H4Cl2O2S/c1-2(3)7(4,5)6/h2H,1H3

InChIKey

XUWDWJZNNYTMJV-UHFFFAOYSA-N

Compound name

1-chloroethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 161.93091 Da
Monoisotopic Mass: 1.5
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]+	162.93819	129.1
[M+Na]+	184.92013	140.3
[M+NH4]+	179.96473	137.5
[M+K]+	200.89407	133.6
[M-H]-	160.92363	127.5
[M+Na-2H]-	182.90558	132.4
[M]+	161.93036	131.1
[M]-	161.93146	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe