CID 16682760

Butyltin trilaurate

Structural Information

Molecular Formula
C40H78O6Sn
SMILES
CCCCCCCCCCCC(=O)O[Sn](CCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/3C12H24O2.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-4-2;/h3*2-11H2,1H3,(H,13,14);1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
FKXJWELJXMKBDI-UHFFFAOYSA-K
Compound name
[butyl-di(dodecanoyloxy)stannyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

817
Patents

774.48206 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.48934 291.7
[M+Na]+ 797.47128 296.6
[M-H]- 773.47478 280.1
[M+NH4]+ 792.51588 299.0
[M+K]+ 813.44522 301.2
[M+H-H2O]+ 757.47932 290.6
[M+HCOO]- 819.48026 294.7
[M+CH3COO]- 833.49591 281.7
[M+Na-2H]- 795.45673 272.6
[M]+ 774.48151 291.4
[M]- 774.48261 291.4
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