CID 44150577

Einecs 305-143-5

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 340.0
[M+Na]+ 1065.5350 344.8
[M-H]- 1041.5385 326.5
[M+NH4]+ 1060.5796 347.9
[M+K]+ 1081.5090 354.5
[M+H-H2O]+ 1025.5431 335.0
[M+HCOO]- 1087.5440 343.8
[M+CH3COO]- 1101.5597 314.1
[M+Na-2H]- 1063.5205 315.9
[M]+ 1042.5453 338.1
[M]- 1042.5463 338.1
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.