CID 16682738

Dibutyltin dilaurate

Structural Information

Molecular Formula
C32H64O4Sn
SMILES
CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
UKLDJPRMSDWDSL-UHFFFAOYSA-L
Compound name
[dibutyl(dodecanoyloxy)stannyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

31
References

24508
Patents

632.3827 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.38998 263.4
[M+Na]+ 655.37192 269.7
[M-H]- 631.37542 251.2
[M+NH4]+ 650.41652 267.5
[M+K]+ 671.34586 271.1
[M+H-H2O]+ 615.37996 262.2
[M+HCOO]- 677.38090 271.1
[M+CH3COO]- 691.39655 257.2
[M+Na-2H]- 653.35737 247.2
[M]+ 632.38215 263.0
[M]- 632.38325 263.0
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