CID 94580

57583-34-3

Structural Information

Molecular Formula
C31H60O6S3Sn
SMILES
CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
InChI
InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3
InChIKey
ACRNSUGLVQJCOM-UHFFFAOYSA-K
Compound name
2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-methylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
Patents

744.2574 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.26468 282.4
[M+Na]+ 767.24662 290.0
[M+NH4]+ 762.29122 288.7
[M+K]+ 783.22056 282.9
[M-H]- 743.25012 273.3
[M+Na-2H]- 765.23207 282.6
[M]+ 744.25685 282.1
[M]- 744.25795 282.1
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