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
3
Annotation Hits

0
References

162
Patents

570.3459 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.35318 251.9
[M+Na]+ 593.33512 259.7
[M-H]- 569.33862 238.4
[M+NH4]+ 588.37972 253.2
[M+K]+ 609.30906 259.4
[M+H-H2O]+ 553.34316 244.8
[M+HCOO]- 615.34410 263.3
[M+CH3COO]- 629.35975 246.1
[M+Na-2H]- 591.32057 237.1
[M]+ 570.34535 251.5
[M]- 570.34645 251.5
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

patents stripe