CID 9576119

Einecs 260-972-9

Structural Information

Molecular Formula
C22H44O4S2Sn
SMILES
CCCCCCCC(=O)OCCS[Sn](C)(C)SCCOC(=O)CCCCCCC
InChI
InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-2-3-4-5-6-7-10(11)12-8-9-13;;;/h2*13H,2-9H2,1H3;2*1H3;/q;;;;+2/p-2
InChIKey
BDCOHOHODJLVSW-UHFFFAOYSA-L
Compound name
2-[dimethyl(2-octanoyloxyethylsulfanyl)stannyl]sulfanylethyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.1703 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.17758 229.6
[M+Na]+ 579.15952 232.8
[M+NH4]+ 574.20412 240.7
[M+K]+ 595.13346 222.4
[M-H]- 555.16302 225.9
[M+Na-2H]- 577.14497 225.2
[M]+ 556.16975 229.5
[M]- 556.17085 229.5
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.