CID 16682929

Phenylmercury benzoate

Structural Information

Molecular Formula

C₁₃H₁₀HgO₂

SMILES

C1=CC=C(C=C1)C(=O)O[Hg]C2=CC=CC=C2

InChI

InChI=1S/C7H6O2.C6H5.Hg/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H,(H,8,9);1-5H;/q;;+1/p-1

InChIKey

ZXFQZMVPEYERPI-UHFFFAOYSA-M

Compound name

benzoyloxy(phenyl)mercury

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 229
Patents: 400.03873 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]+	401.04601	183.1
[M+Na]+	423.02795	188.2
[M-H]-	399.03145	188.0
[M+NH4]+	418.07255	199.1
[M+K]+	439.00189	184.2
[M+H-H2O]+	383.03599	173.7
[M+HCOO]-	445.03693	205.0
[M+CH3COO]-	459.05258	193.0
[M+Na-2H]-	421.01340	185.9
[M]+	400.03818	183.5
[M]-	400.03928	183.5

Literature stripe

literature stripe

Patent stripe

patents stripe