CID 44147621

85938-46-1

Structural Information

Molecular Formula
C68H134O5Sn2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[Sn](O[Sn](OC(=O)CCCCCCC/C=C\CCCCCCCC)(CCCCCCCC)CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/2C18H34O2.4C8H17.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-5-7-8-6-4-2;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1,3-8H2,2H3;;;/q;;;;;;;2*+1/p-2/b2*10-9-;;;;;;;
InChIKey
ISZCRZBMOAPRAY-MNHRHIJMSA-L
Compound name
[[[(Z)-octadec-9-enoyl]oxy-dioctylstannyl]oxy-dioctylstannyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1270.8275 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1271.8348 356.6
[M+Na]+ 1293.8167 355.3
[M+NH4]+ 1288.8613 358.2
[M+K]+ 1309.7907 360.8
[M-H]- 1269.8202 332.3
[M+Na-2H]- 1291.8022 346.2
[M]+ 1270.8270 351.1
[M]- 1270.8280 351.1
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.