CID 154182411

98022-98-1

Structural Information

Molecular Formula

C₄H₈Cl₂O₅S₂

SMILES

C(CS(=O)(=O)Cl)OCCS(=O)(=O)Cl

InChI

InChI=1S/C4H8Cl2O5S2/c5-12(7,8)3-1-11-2-4-13(6,9)10/h1-4H2

InChIKey

HMCURVJUFBXPEL-UHFFFAOYSA-N

Compound name

2-(2-chlorosulfonylethoxy)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.919 Da
Monoisotopic Mass: 0.4
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]+	270.92628	148.0
[M+Na]+	292.90822	156.9
[M-H]-	268.91172	148.8
[M+NH4]+	287.95282	165.9
[M+K]+	308.88216	152.1
[M+H-H2O]+	252.91626	145.7
[M+HCOO]-	314.91720	150.9
[M+CH3COO]-	328.93285	185.7
[M+Na-2H]-	290.89367	151.4
[M]+	269.91845	156.3
[M]-	269.91955	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe