CID 100959

59118-80-8

Structural Information

Molecular Formula
C34H66O6S3Sn
SMILES
CCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCC)SCCOC(=O)CCCCCCC
InChI
InChI=1S/3C10H20O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-10(11)12-8-9-13;1-3-4-2;/h3*13H,2-9H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
FXMZXUNYBBSBCI-UHFFFAOYSA-K
Compound name
2-[butyl-bis(2-octanoyloxyethylsulfanyl)stannyl]sulfanylethyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

786.3044 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.31168 292.1
[M+Na]+ 809.29362 299.5
[M+NH4]+ 804.33822 296.0
[M+K]+ 825.26756 292.7
[M-H]- 785.29712 278.7
[M+Na-2H]- 807.27907 290.4
[M]+ 786.30385 290.6
[M]- 786.30495 290.6
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.