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 234.3
[M+Na]+ 579.15952 232.9
[M-H]- 555.16302 230.2
[M+NH4]+ 574.20412 253.4
[M+K]+ 595.13346 227.1
[M+H-H2O]+ 539.16756 225.0
[M+HCOO]- 601.16850 259.4
[M+CH3COO]- 615.18415 235.4
[M+Na-2H]- 577.14497 225.4
[M]+ 556.16975 246.6
[M]- 556.17085 246.6
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.