CID 20837950

Dioctylbis(oleoyloxy)stannane

Structural Information

Molecular Formula
C52H100O4Sn
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[Sn](OC(=O)CCCCCCC/C=C\CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/2C18H34O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-5-7-8-6-4-2;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*10-9-;;;
InChIKey
SNZAWIWMBQMVSB-BGSQTJHASA-L
Compound name
[[(Z)-octadec-9-enoyl]oxy-dioctylstannyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

908.66437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 909.67165 307.0
[M+Na]+ 931.65359 307.3
[M+NH4]+ 926.69819 307.6
[M+K]+ 947.62753 309.5
[M-H]- 907.65709 286.8
[M+Na-2H]- 929.63904 301.2
[M]+ 908.66382 302.2
[M]- 908.66492 302.2
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

patents stripe