CID 16682932

Phenylmercuric propionate

Structural Information

Molecular Formula

C₉H₁₀HgO₂

SMILES

CCC(=O)O[Hg]C1=CC=CC=C1

InChI

InChI=1S/C6H5.C3H6O2.Hg/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-5H;2H2,1H3,(H,4,5);/q;;+1/p-1

InChIKey

OOCYPIXCHKROMD-UHFFFAOYSA-M

Compound name

phenyl(propanoyloxy)mercury

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1277
Patents: 352.03873 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]+	353.04601	164.0
[M+Na]+	375.02795	175.7
[M+NH4]+	370.07255	171.7
[M+K]+	391.00189	167.5
[M-H]-	351.03145	165.5
[M+Na-2H]-	373.01340	169.0
[M]+	352.03818	165.9
[M]-	352.03928	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe