CID 564320

1,2-ethanediyl bismethanethiosulfonate

Structural Information

Molecular Formula

C₄H₁₀O₄S₄

SMILES

CS(=O)(=O)SCCSS(=O)(=O)C

InChI

InChI=1S/C4H10O4S4/c1-11(5,6)9-3-4-10-12(2,7)8/h3-4H2,1-2H3

InChIKey

GTLRPXXCQSUDLL-UHFFFAOYSA-N

Compound name

1,2-bis(methylsulfonylsulfanyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 249.9462 Da
Monoisotopic Mass: -0.1
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]+	250.95348	158.4
[M+Na]+	272.93542	164.0
[M+NH4]+	267.98002	164.3
[M+K]+	288.90936	154.7
[M-H]-	248.93892	155.6
[M+Na-2H]-	270.92087	156.4
[M]+	249.94565	159.9
[M]-	249.94675	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe