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 173.0
[M+Na]+ 360.97009 174.7
[M-H]- 336.97359 165.2
[M+NH4]+ 356.01469 182.2
[M+K]+ 376.94403 162.4
[M+H-H2O]+ 320.97813 165.6
[M+HCOO]- 382.97907 162.1
[M+CH3COO]- 396.99472 202.9
[M+Na-2H]- 358.95554 170.7
[M]+ 337.98032 169.1
[M]- 337.98142 169.1
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.