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

2
Annotation Hits: 0
References: 223
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	176.4
[M+Na]+	423.02795	190.3
[M+NH4]+	418.07255	184.7
[M+K]+	439.00189	180.7
[M-H]-	399.03145	180.7
[M+Na-2H]-	421.01340	184.6
[M]+	400.03818	179.6
[M]-	400.03928	179.6

Literature stripe

literature stripe

Patent stripe

patents stripe