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 343.5
[M+Na]+ 1069.5663 347.1
[M-H]- 1045.5698 328.4
[M+NH4]+ 1064.6109 350.9
[M+K]+ 1085.5403 357.7
[M+H-H2O]+ 1029.5744 338.4
[M+HCOO]- 1091.5753 345.7
[M+CH3COO]- 1105.5910 316.2
[M+Na-2H]- 1067.5518 318.5
[M]+ 1046.5766 342.1
[M]- 1046.5776 342.1
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