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 282.8
[M+Na]+ 767.24662 290.5
[M+NH4]+ 762.29122 286.8
[M+K]+ 783.22056 283.1
[M-H]- 743.25012 270.4
[M+Na-2H]- 765.23207 282.0
[M]+ 744.25685 281.5
[M]- 744.25795 281.5
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.