CID 44147621

Einecs 288-880-4

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 385.1
[M+Na]+ 1293.8167 386.1
[M-H]- 1269.8202 364.2
[M+NH4]+ 1288.8613 392.6
[M+K]+ 1309.7907 403.2
[M+H-H2O]+ 1253.8248 378.9
[M+HCOO]- 1315.8257 381.8
[M+CH3COO]- 1329.8414 353.8
[M+Na-2H]- 1291.8022 355.1
[M]+ 1270.8270 385.9
[M]- 1270.8280 385.9
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.