CID 44146081

94349-27-6

Structural Information

Molecular Formula
C52H92O4Sn
SMILES
CCCCCCCC[Sn](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CCCCCCCC
InChI
InChI=1S/2C18H30O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-5-7-8-6-4-2;/h2*3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*4-3-,7-6-,10-9-;;;
InChIKey
USAUKSQBQLVJQY-VMTDMSJFSA-L
Compound name
[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-dioctylstannyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

900.60175 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 901.60903 299.7
[M+Na]+ 923.59097 301.9
[M+NH4]+ 918.63557 300.2
[M+K]+ 939.56491 303.5
[M-H]- 899.59447 282.6
[M+Na-2H]- 921.57642 295.5
[M]+ 900.60120 296.0
[M]- 900.60230 296.0
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.