CID 111791

Butyltintris(2-tetradecanoyloxyethylmercaptide)

Structural Information

Molecular Formula
C52H102O6S3Sn
SMILES
CCCCCCCCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCCCCCCCC)SCCOC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/3C16H32O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15-19;1-3-4-2;/h3*19H,2-15H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
JRYDGVZESLLOGL-UHFFFAOYSA-K
Compound name
2-[butyl-bis(2-tetradecanoyloxyethylsulfanyl)stannyl]sulfanylethyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1038.586 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1039.5933 361.0
[M+Na]+ 1061.5752 357.4
[M-H]- 1037.5787 335.4
[M+NH4]+ 1056.6198 364.5
[M+K]+ 1077.5492 369.9
[M+H-H2O]+ 1021.5833 357.1
[M+HCOO]- 1083.5842 355.0
[M+CH3COO]- 1097.5999 316.2
[M+Na-2H]- 1059.5607 332.6
[M]+ 1038.5855 364.4
[M]- 1038.5865 364.4
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.