CID 9573854

Nsc363068

Structural Information

Molecular Formula
C12H28O6S4Sn
SMILES
CCCC[Sn](CCCC)(SCCS(=O)(=O)O)SCCS(=O)(=O)O
InChI
InChI=1S/2C4H9.2C2H6O3S2.Sn/c2*1-3-4-2;2*3-7(4,5)2-1-6;/h2*1,3-4H2,2H3;2*6H,1-2H2,(H,3,4,5);/q;;;;+2/p-2
InChIKey
HYCDVYPUIUXPPL-UHFFFAOYSA-L
Compound name
2-[dibutyl(2-sulfoethylsulfanyl)stannyl]sulfanylethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.97906 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.98634 215.1
[M+Na]+ 538.96828 215.2
[M-H]- 514.97178 206.9
[M+NH4]+ 534.01288 221.6
[M+K]+ 554.94222 204.7
[M+H-H2O]+ 498.97632 206.6
[M+HCOO]- 560.97726 207.3
[M+CH3COO]- 574.99291 215.3
[M+Na-2H]- 536.95373 214.2
[M]+ 515.97851 216.9
[M]- 515.97961 216.9
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.