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 323.2
[M+Na]+ 931.65359 327.2
[M-H]- 907.65709 305.1
[M+NH4]+ 926.69819 327.6
[M+K]+ 947.62753 336.0
[M+H-H2O]+ 891.66163 320.0
[M+HCOO]- 953.66257 325.1
[M+CH3COO]- 967.67822 308.5
[M+Na-2H]- 929.63904 300.0
[M]+ 908.66382 322.3
[M]- 908.66492 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