CID 16682956

Tolylmercuric acetate

Structural Information

Molecular Formula

C₉H₁₀HgO₂

SMILES

CC1=CC=C(C=C1)[Hg]OC(=O)C

InChI

InChI=1S/C7H7.C2H4O2.Hg/c1-7-5-3-2-4-6-7;1-2(3)4;/h3-6H,1H3;1H3,(H,3,4);/q;;+1/p-1

InChIKey

QQQFFLWYRHKKQG-UHFFFAOYSA-M

Compound name

acetyloxy-(4-methylphenyl)mercury

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1143
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]+	353.046006	171.1
[M+Na]+	375.027948	177.6
[M-H]-	351.031454	173.5
[M+NH4]+	370.072553	190.0
[M+K]+	391.001888	175.3
[M+H-H2O]+	335.035990	163.5
[M+HCOO]-	397.036931	192.9
[M+CH3COO]-	411.052581	186.3
[M+Na-2H]-	373.013396	172.9
[M]+	352.03818142	173.3
[M]-	352.03927858	173.3

Literature stripe

literature stripe

Patent stripe

patents stripe