CID 9573852

Nsc363066

Structural Information

Molecular Formula
C6H16O6S4Sn
SMILES
C[Sn](C)(SCCS(=O)(=O)O)SCCS(=O)(=O)O
InChI
InChI=1S/2C2H6O3S2.2CH3.Sn/c2*3-7(4,5)2-1-6;;;/h2*6H,1-2H2,(H,3,4,5);2*1H3;/q;;;;+2/p-2
InChIKey
JQZCFPILDXITAL-UHFFFAOYSA-L
Compound name
2-[dimethyl(2-sulfoethylsulfanyl)stannyl]sulfanylethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.88516 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.89244 194.5
[M+Na]+ 454.87438 197.0
[M-H]- 430.87788 187.3
[M+NH4]+ 449.91898 204.0
[M+K]+ 470.84832 187.6
[M+H-H2O]+ 414.88242 186.9
[M+HCOO]- 476.88336 188.1
[M+CH3COO]- 490.89901 199.4
[M+Na-2H]- 452.85983 195.0
[M]+ 431.88461 194.4
[M]- 431.88571 194.4
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.