CID 16684102

Basic dibutyltin oleate

Structural Information

Molecular Formula
C52H102O5Sn2
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)O[Sn](O[Sn](OC(=O)CCCCCCC/C=C/CCCCCCCC)(CCCC)CCCC)(CCCC)CCCC
InChI
InChI=1S/2C18H34O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-4-2;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/b2*10-9+;;;;;;;
InChIKey
KYKSFHCGJXUBOI-JRLUEHJLSA-L
Compound name
[dibutyl-[dibutyl-[(E)-octadec-9-enoyl]oxystannyl]oxystannyl] (E)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

1046.5771 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1047.5844 310.9
[M+Na]+ 1069.5663 311.2
[M+NH4]+ 1064.6109 313.1
[M+K]+ 1085.5403 313.4
[M-H]- 1045.5698 291.6
[M+Na-2H]- 1067.5518 305.1
[M]+ 1046.5766 306.5
[M]- 1046.5776 306.5
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