CID 163360435

Stannane, dibutylbis[(1-oxo-9,12-octadecadienyl)oxy]-, (all-z)-

Structural Information

Molecular Formula
C47H86O4Sn
SMILES
CCCCCC/C=C\CCC/C=C\CCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C21H38O2.C18H32O2.2C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h7-8,12-13H,2-6,9-11,14-20H2,1H3,(H,22,23);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/b8-7-,13-12-;7-6-,10-9-;;;
InChIKey
LRLAJUBFHBXMPJ-KQLXYDIQSA-L
Compound name
[dibutyl-[(9Z,12Z)-octadeca-9,12-dienoyl]oxystannyl] (9Z,14Z)-henicosa-9,14-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

834.5548 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 835.56208 304.3
[M+Na]+ 857.54402 310.4
[M-H]- 833.54752 289.7
[M+NH4]+ 852.58862 309.3
[M+K]+ 873.51796 316.1
[M+H-H2O]+ 817.55206 301.7
[M+HCOO]- 879.55300 309.6
[M+CH3COO]- 893.56865 293.2
[M+Na-2H]- 855.52947 284.0
[M]+ 834.55425 302.7
[M]- 834.55535 302.7
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

No patent data available for this compound.