CID 15385

2-chloroethanesulfonyl chloride

Structural Information

Molecular Formula

C₂H₄Cl₂O₂S

SMILES

C(CCl)S(=O)(=O)Cl

InChI

InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2

InChIKey

VHCSBTPOPKFYIU-UHFFFAOYSA-N

Compound name

2-chloroethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 4819
Patents: 161.93091 Da
Monoisotopic Mass: 1.0
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	123.1
[M+Na]+	184.92013	133.5
[M-H]-	160.92363	124.1
[M+NH4]+	179.96473	145.6
[M+K]+	200.89407	129.9
[M+H-H2O]+	144.92817	121.4
[M+HCOO]-	206.92911	132.5
[M+CH3COO]-	220.94476	170.5
[M+Na-2H]-	182.90558	128.1
[M]+	161.93036	128.0
[M]-	161.93146	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe