CID 36988

1-butanesulfinic acid, 4,4'-dithiobis-, disodium salt

Structural Information

Molecular Formula
C8H18O4S4
SMILES
C(CCS(=O)O)CSSCCCCS(=O)O
InChI
InChI=1S/C8H18O4S4/c9-15(10)7-3-1-5-13-14-6-2-4-8-16(11)12/h1-8H2,(H,9,10)(H,11,12)
InChIKey
GELPNJSUDVLVKD-UHFFFAOYSA-N
Compound name
4-(4-sulfinobutyldisulfanyl)butane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0088 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01608 163.1
[M+Na]+ 328.99802 165.7
[M-H]- 305.00152 157.0
[M+NH4]+ 324.04262 174.9
[M+K]+ 344.97196 156.6
[M+H-H2O]+ 289.00606 156.3
[M+HCOO]- 351.00700 158.3
[M+CH3COO]- 365.02265 196.4
[M+Na-2H]- 326.98347 160.1
[M]+ 306.00825 163.1
[M]- 306.00935 163.1
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.