CID 44150577

94349-26-5

Structural Information

Molecular Formula
C52H98O5Sn2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[Sn](O[Sn](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(CCCC)CCCC)(CCCC)CCCC
InChI
InChI=1S/2C18H32O2.4C4H9.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*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/b2*7-6-,10-9-;;;;;;;
InChIKey
LJBNWUJGXCTIAQ-HGMCVETQSA-L
Compound name
[dibutyl-[dibutyl-[(9Z,12Z)-octadeca-9,12-dienoyl]oxystannyl]oxystannyl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1042.5458 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1043.5531 307.5
[M+Na]+ 1065.5350 308.7
[M+NH4]+ 1060.5796 309.6
[M+K]+ 1081.5090 310.6
[M-H]- 1041.5385 289.7
[M+Na-2H]- 1063.5205 302.5
[M]+ 1042.5453 303.7
[M]- 1042.5463 303.7
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.