CID 16683089

Tributyltin linoleate

Structural Information

Molecular Formula
C30H58O2Sn
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C18H32O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1/b7-6-,10-9-;;;;
InChIKey
SFDCESVOFOYWTJ-YLLHCXABSA-M
Compound name
tributylstannyl (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

570.3459 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.35318 231.0
[M+Na]+ 593.33512 233.6
[M+NH4]+ 588.37972 230.4
[M+K]+ 609.30906 230.9
[M-H]- 569.33862 215.2
[M+Na-2H]- 591.32057 231.5
[M]+ 570.34535 226.7
[M]- 570.34645 226.7
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

patents stripe