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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	775.48934	277.0
[M+Na]+	797.47128	277.2
[M+NH4]+	792.51588	279.8
[M+K]+	813.44522	277.9
[M-H]-	773.47478	262.0
[M+Na-2H]-	795.45673	274.7
[M]+	774.48151	273.5
[M]-	774.48261	273.5

Literature stripe

literature stripe

Patent stripe

patents stripe