CID 111800

Methyltintris(2-decanoyloxyethylmercaptide)

Structural Information

Molecular Formula
C37H72O6S3Sn
SMILES
CCCCCCCCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCCCCCCC)SCCOC(=O)CCCCCCCCC
InChI
InChI=1S/3C12H24O2S.CH3.Sn/c3*1-2-3-4-5-6-7-8-9-12(13)14-10-11-15;;/h3*15H,2-11H2,1H3;1H3;/q;;;;+3/p-3
InChIKey
RCPYSGXEGPDJDX-UHFFFAOYSA-K
Compound name
2-[bis(2-decanoyloxyethylsulfanyl)-methylstannyl]sulfanylethyl decanoate
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 314.2
[M+Na]+ 851.34052 312.9
[M-H]- 827.34402 293.7
[M+NH4]+ 846.38512 317.8
[M+K]+ 867.31446 319.8
[M+H-H2O]+ 811.34856 311.7
[M+HCOO]- 873.34950 313.5
[M+CH3COO]- 887.36515 280.5
[M+Na-2H]- 849.32597 291.5
[M]+ 828.35075 316.9
[M]- 828.35185 316.9
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.