CID 16682804

Fentin acetate

Structural Information

Molecular Formula

C₂₀H₁₈O₂Sn

SMILES

CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1

InChIKey

WDQNIWFZKXZFAY-UHFFFAOYSA-M

Compound name

triphenylstannyl acetate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 39
References: 0
Patents: 410.03287 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]+	411.04015	189.7
[M+Na]+	433.02209	205.1
[M+NH4]+	428.06669	198.2
[M+K]+	448.99603	195.3
[M-H]-	409.02559	196.2
[M+Na-2H]-	431.00754	201.1
[M]+	410.03232	194.0
[M]-	410.03342	194.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.