CID 194638

Bis((methylsulfonyl)methyl)disulfide

Structural Information

Molecular Formula

C₄H₁₀O₄S₄

SMILES

CS(=O)(=O)CSSCS(=O)(=O)C

InChI

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

InChIKey

IOXAYNQOZILPBK-UHFFFAOYSA-N

Compound name

methylsulfonyl-(methylsulfonylmethyldisulfanyl)methane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
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	157.7
[M+Na]+	272.93542	164.4
[M-H]-	248.93892	155.5
[M+NH4]+	267.98002	173.1
[M+K]+	288.90936	156.5
[M+H-H2O]+	232.94346	151.5
[M+HCOO]-	294.94440	156.7
[M+CH3COO]-	308.96005	188.0
[M+Na-2H]-	270.92087	158.9
[M]+	249.94565	158.4
[M]-	249.94675	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe