CID 16683946

3648-18-8

Structural Information

Molecular Formula
C40H80O4Sn
SMILES
CCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/2C12H24O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
XQBCVRSTVUHIGH-UHFFFAOYSA-L
Compound name
[dodecanoyloxy(dioctyl)stannyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

26142
Patents

744.5079 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.51518 290.2
[M+Na]+ 767.49712 295.1
[M-H]- 743.50062 274.9
[M+NH4]+ 762.54172 294.1
[M+K]+ 783.47106 299.8
[M+H-H2O]+ 727.50516 288.1
[M+HCOO]- 789.50610 294.8
[M+CH3COO]- 803.52175 279.2
[M+Na-2H]- 765.48257 270.6
[M]+ 744.50735 289.4
[M]- 744.50845 289.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe