CID 100651

Clomesone

Structural Information

Molecular Formula

C₄H₉ClO₅S₂

SMILES

CS(=O)(=O)CS(=O)(=O)OCCCl

InChI

InChI=1S/C4H9ClO5S2/c1-11(6,7)4-12(8,9)10-3-2-5/h2-4H2,1H3

InChIKey

SEHSPJCWCBQHPF-UHFFFAOYSA-N

Compound name

2-chloroethyl methylsulfonylmethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 23
References: 1081
Patents: 235.958 Da
Monoisotopic Mass: -0.3
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]+	236.96528	151.8
[M+Na]+	258.94722	159.7
[M+NH4]+	253.99182	157.5
[M+K]+	274.92116	153.0
[M-H]-	234.95072	147.9
[M+Na-2H]-	256.93267	151.9
[M]+	235.95745	152.7
[M]-	235.95855	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe