CID 16683953

Dibutyltin dioctanoate

Structural Information

Molecular Formula
C24H48O4Sn
SMILES
CCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC
InChI
InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8(9)10;2*1-3-4-2;/h2*2-7H2,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
NBJODVYWAQLZOC-UHFFFAOYSA-L
Compound name
[dibutyl(octanoyloxy)stannyl] octanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12650
Patents

520.25745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26473 235.7
[M+Na]+ 543.24667 243.0
[M-H]- 519.25017 226.1
[M+NH4]+ 538.29127 239.5
[M+K]+ 559.22061 231.3
[M+H-H2O]+ 503.25471 227.1
[M+HCOO]- 565.25565 246.0
[M+CH3COO]- 579.27130 234.4
[M+Na-2H]- 541.23212 229.2
[M]+ 520.25690 235.6
[M]- 520.25800 235.6
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

No patent data available for this compound.