CID 433610

Disodium 4,4'-trithiobis(butanesulfinate)

Structural Information

Molecular Formula
C8H18O4S5
SMILES
C(CCS(=O)O)CSSSCCCCS(=O)O
InChI
InChI=1S/C8H18O4S5/c9-16(10)7-3-1-5-13-15-14-6-2-4-8-17(11)12/h1-8H2,(H,9,10)(H,11,12)
InChIKey
FSYNUIVMAVQBBC-UHFFFAOYSA-N
Compound name
4-(4-sulfinobutyltrisulfanyl)butane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.98087 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.98815 160.5
[M+Na]+ 360.97009 163.4
[M+NH4]+ 356.01469 165.8
[M+K]+ 376.94403 153.8
[M-H]- 336.97359 158.1
[M+Na-2H]- 358.95554 156.9
[M]+ 337.98032 161.8
[M]- 337.98142 161.8
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.