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]+ 321.03172 175.8
[M+Na]+ 343.01366 180.5
[M-H]- 319.01716 172.6
[M+NH4]+ 338.05826 188.6
[M+K]+ 358.98760 171.6
[M+H-H2O]+ 303.02170 168.7
[M+HCOO]- 365.02264 173.5
[M+CH3COO]- 379.03829 201.4
[M+Na-2H]- 340.99911 175.5
[M]+ 320.02389 178.1
[M]- 320.02499 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.