CID 109279

68298-43-1

Structural Information

Molecular Formula
C37H72O6S3Sn
SMILES
CCCC[Sn](SCCOC(=O)CC(C)CC(C)(C)C)(SCCOC(=O)CC(C)CC(C)(C)C)SCCOC(=O)CC(C)CC(C)(C)C
InChI
InChI=1S/3C11H22O2S.C4H9.Sn/c3*1-9(8-11(2,3)4)7-10(12)13-5-6-14;1-3-4-2;/h3*9,14H,5-8H2,1-4H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
DSPHQOAUZNUHDJ-UHFFFAOYSA-K
Compound name
2-[butyl-bis[2-(3,5,5-trimethylhexanoyloxy)ethylsulfanyl]stannyl]sulfanylethyl 3,5,5-trimethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.3513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.35858 273.0
[M+Na]+ 851.34052 275.9
[M+NH4]+ 846.38512 289.3
[M+K]+ 867.31446 280.2
[M-H]- 827.34402 272.5
[M+Na-2H]- 849.32597 262.9
[M]+ 828.35075 273.8
[M]- 828.35185 273.8
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.