CID 182365

63314-23-8

Structural Information

Molecular Formula

C₂₀H₁₈O₂Sn

SMILES

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

InChI

InChI=1S/3C6H5.C2H3O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H2,(H,3,4);

InChIKey

XOAROYSBHYQOIE-UHFFFAOYSA-N

Compound name

2-triphenylstannylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	192.0
[M+Na]+	433.02209	195.7
[M-H]-	409.02559	198.6
[M+NH4]+	428.06669	203.7
[M+K]+	448.99603	189.7
[M+H-H2O]+	393.03013	182.0
[M+HCOO]-	455.03107	210.4
[M+CH3COO]-	469.04672	205.0
[M+Na-2H]-	431.00754	195.6
[M]+	410.03232	189.7
[M]-	410.03342	189.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe