CID 109986

68298-36-2

Structural Information

Molecular Formula
C37H72O6S3Sn
SMILES
CCCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCCC)SCCOC(=O)CCCCCCCC
InChI
InChI=1S/3C11H22O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-11(12)13-9-10-14;1-3-4-2;/h3*14H,2-10H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
CMTHBFGXMJZQBS-UHFFFAOYSA-K
Compound name
2-[butyl-bis(2-nonanoyloxyethylsulfanyl)stannyl]sulfanylethyl nonanoate
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 301.3
[M+Na]+ 851.34052 308.4
[M+NH4]+ 846.38512 305.1
[M+K]+ 867.31446 302.1
[M-H]- 827.34402 287.0
[M+Na-2H]- 849.32597 298.7
[M]+ 828.35075 299.5
[M]- 828.35185 299.5
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.