CID 9576172

59118-81-9

Structural Information

Molecular Formula
C36H72O4S2Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(SCCOC(=O)CCCCCCC)SCCOC(=O)CCCCCCC
InChI
InChI=1S/2C10H20O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-10(11)12-8-9-13;2*1-3-5-7-8-6-4-2;/h2*13H,2-9H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
WZVSYXVXOCRCLO-UHFFFAOYSA-L
Compound name
2-[2-octanoyloxyethylsulfanyl(dioctyl)stannyl]sulfanylethyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

752.3894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.39668 284.2
[M+Na]+ 775.37862 289.6
[M+NH4]+ 770.42322 286.1
[M+K]+ 791.35256 284.4
[M-H]- 751.38212 267.3
[M+Na-2H]- 773.36407 281.6
[M]+ 752.38885 281.0
[M]- 752.38995 281.0
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.