CID 93816

57813-62-4

Structural Information

Molecular Formula
C31H60O6S3Sn
SMILES
CCCCCCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCCCCC)SCCOC(=O)CCCCCCC
InChI
InChI=1S/3C10H20O2S.CH3.Sn/c3*1-2-3-4-5-6-7-10(11)12-8-9-13;;/h3*13H,2-9H2,1H3;1H3;/q;;;;+3/p-3
InChIKey
LURDONBOXRFJRH-UHFFFAOYSA-K
Compound name
2-[methyl-bis(2-octanoyloxyethylsulfanyl)stannyl]sulfanylethyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

744.2574 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.26468 294.1
[M+Na]+ 767.24662 293.7
[M-H]- 743.25012 275.7
[M+NH4]+ 762.29122 297.8
[M+K]+ 783.22056 298.3
[M+H-H2O]+ 727.25466 292.2
[M+HCOO]- 789.25560 295.5
[M+CH3COO]- 803.27125 265.3
[M+Na-2H]- 765.23207 273.8
[M]+ 744.25685 296.9
[M]- 744.25795 296.9
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.