CID 16683286

Tributyltin chloroacetate

Structural Information

Molecular Formula

C₁₄H₂₉ClO₂Sn

SMILES

CCCC[Sn](CCCC)(CCCC)OC(=O)CCl

InChI

InChI=1S/3C4H9.C2H3ClO2.Sn/c3*1-3-4-2;3-1-2(4)5;/h3*1,3-4H2,2H3;1H2,(H,4,5);/q;;;;+1/p-1

InChIKey

VULBAORKCQWGGB-UHFFFAOYSA-M

Compound name

tributylstannyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 384.0878 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]+	385.09508	191.8
[M+Na]+	407.07702	195.9
[M-H]-	383.08052	190.0
[M+NH4]+	402.12162	208.1
[M+K]+	423.05096	191.7
[M+H-H2O]+	367.08506	186.0
[M+HCOO]-	429.08600	205.2
[M+CH3COO]-	443.10165	205.6
[M+Na-2H]-	405.06247	191.0
[M]+	384.08725	199.5
[M]-	384.08835	199.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe