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

12675
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

literature stripe

Patent stripe

patents stripe