CID 71586999

Methylenebisbutanethiolsulfonate

Structural Information

Molecular Formula
C9H20O4S4
SMILES
CCCCS(=O)(=O)SCSS(=O)(=O)CCCC
InChI
InChI=1S/C9H20O4S4/c1-3-5-7-16(10,11)14-9-15-17(12,13)8-6-4-2/h3-9H2,1-2H3
InChIKey
YPTZEQATJVXHMX-UHFFFAOYSA-N
Compound name
1-(butylsulfonylsulfanylmethylsulfanylsulfonyl)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

320.02444 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.031716 175.8
[M+Na]+ 343.013658 180.5
[M-H]- 319.017164 172.6
[M+NH4]+ 338.058263 188.6
[M+K]+ 358.987598 171.6
[M+H-H2O]+ 303.021700 168.7
[M+HCOO]- 365.022641 173.5
[M+CH3COO]- 379.038291 201.4
[M+Na-2H]- 340.999106 175.5
[M]+ 320.02389142 178.1
[M]- 320.02498858 178.1
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

No patent data available for this compound.