CID 106929

Einecs 267-481-9

Structural Information

Molecular Formula
C31H60O6S3Sn
SMILES
CCCCC(CC)C(=O)OCCS[Sn](C)(SCCOC(=O)C(CC)CCCC)SCCOC(=O)C(CC)CCCC
InChI
InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)10(11)12-7-8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3
InChIKey
YRULUXDRMGWMDA-UHFFFAOYSA-K
Compound name
2-[bis[2-(2-ethylhexanoyloxy)ethylsulfanyl]-methylstannyl]sulfanylethyl 2-ethylhexanoate
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 294.0
[M+Na]+ 767.24662 295.1
[M-H]- 743.25012 280.0
[M+NH4]+ 762.29122 302.2
[M+K]+ 783.22056 301.2
[M+H-H2O]+ 727.25466 293.8
[M+HCOO]- 789.25560 288.8
[M+CH3COO]- 803.27125 267.2
[M+Na-2H]- 765.23207 275.5
[M]+ 744.25685 297.3
[M]- 744.25795 297.3
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

patents stripe