CID 13310120

1-chloroethyl sulfochloridate

Structural Information

Molecular Formula

C₂H₄Cl₂O₃S

SMILES

CC(OS(=O)(=O)Cl)Cl

InChI

InChI=1S/C2H4Cl2O3S/c1-2(3)7-8(4,5)6/h2H,1H3

InChIKey

SMUHJMMCLGTTSJ-UHFFFAOYSA-N

Compound name

1-chloro-1-chlorosulfonyloxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
Patents: 177.92583 Da
Monoisotopic Mass: 1.6
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]+	178.93311	124.7
[M+Na]+	200.91505	134.8
[M-H]-	176.91855	125.9
[M+NH4]+	195.95965	146.6
[M+K]+	216.88899	132.1
[M+H-H2O]+	160.92309	123.1
[M+HCOO]-	222.92403	133.5
[M+CH3COO]-	236.93968	173.2
[M+Na-2H]-	198.90050	129.0
[M]+	177.92528	130.7
[M]-	177.92638	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe