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
2
Annotation Hits

0
References

178
Patents

908.66437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 909.671646 323.2
[M+Na]+ 931.653588 327.2
[M-H]- 907.657094 305.1
[M+NH4]+ 926.698193 327.6
[M+K]+ 947.627528 336.0
[M+H-H2O]+ 891.661630 320.0
[M+HCOO]- 953.662571 325.1
[M+CH3COO]- 967.678221 308.5
[M+Na-2H]- 929.639036 300.0
[M]+ 908.66382142 322.3
[M]- 908.66491858 322.3
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