CID 16684182

Mercury, (neodecanoato-kappao)phenyl-

Structural Information

Molecular Formula

C₁₆H₂₄HgO₂

SMILES

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

InChI

InChI=1S/C10H20O2.C6H5.Hg/c1-10(2,3)8-6-4-5-7-9(11)12;1-2-4-6-5-3-1;/h4-8H2,1-3H3,(H,11,12);1-5H;/q;;+1/p-1

InChIKey

VAQXYTXEFDFLIS-UHFFFAOYSA-M

Compound name

7,7-dimethyloctanoyloxy(phenyl)mercury

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 481
Patents: 450.1483 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]+	451.15558	195.3
[M+Na]+	473.13752	205.3
[M+NH4]+	468.18212	201.7
[M+K]+	489.11146	196.7
[M-H]-	449.14102	195.9
[M+Na-2H]-	471.12297	198.4
[M]+	450.14775	196.8
[M]-	450.14885	196.8

Literature stripe

literature stripe

Patent stripe

patents stripe