CID 83796

Chlorosulfuric acid, (2-chloroethyl) ester

Structural Information

Molecular Formula

C₂H₄Cl₂O₃S

SMILES

C(CCl)OS(=O)(=O)Cl

InChI

InChI=1S/C2H4Cl2O3S/c3-1-2-7-8(4,5)6/h1-2H2

InChIKey

BVCMZXFSEVIRGX-UHFFFAOYSA-N

Compound name

1-chloro-2-chlorosulfonyloxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 177.92583 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]+	178.93311	125.6
[M+Na]+	200.91505	136.0
[M-H]-	176.91855	126.7
[M+NH4]+	195.95965	147.6
[M+K]+	216.88899	132.8
[M+H-H2O]+	160.92309	123.9
[M+HCOO]-	222.92403	135.4
[M+CH3COO]-	236.93968	172.4
[M+Na-2H]-	198.90050	130.9
[M]+	177.92528	132.1
[M]-	177.92638	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe