CID 564320

55-95-8

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

15
Patents

249.9462 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe