CID 44147456

Einecs 305-141-4

Structural Information

Molecular Formula
C52H94O5Sn2
SMILES
CCCC[Sn](O[Sn](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(CCCC)CCCC)(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CCCC
InChI
InChI=1S/2C18H30O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-4-2;;;/h2*3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/b2*4-3-,7-6-,10-9-;;;;;;;
InChIKey
PRJODLXXQASPMM-ZCZKTWPWSA-L
Compound name
[dibutyl-[dibutyl-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxystannyl]oxystannyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1038.5145 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1039.5218 336.8
[M+Na]+ 1061.5037 342.8
[M-H]- 1037.5072 325.0
[M+NH4]+ 1056.5483 345.4
[M+K]+ 1077.4777 351.6
[M+H-H2O]+ 1021.5118 331.9
[M+HCOO]- 1083.5127 342.3
[M+CH3COO]- 1097.5284 311.8
[M+Na-2H]- 1059.4892 313.7
[M]+ 1038.5140 334.5
[M]- 1038.5150 334.5
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

No patent data available for this compound.