CID 16683965

Chloromethoxypropylmercuric acetate

Structural Information

Molecular Formula

C₆H₁₁ClHgO₃

SMILES

CC(=O)O[Hg]CCCOCCl

InChI

InChI=1S/C4H8ClO.C2H4O2.Hg/c1-2-3-6-4-5;1-2(3)4;/h1-4H2;1H3,(H,3,4);/q;;+1/p-1

InChIKey

PLNIDFVLLTYSSF-UHFFFAOYSA-M

Compound name

acetyloxy-[3-(chloromethoxy)propyl]mercury

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 368.0103 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]+	369.01758	173.9
[M+Na]+	390.99952	180.1
[M-H]-	367.00302	172.5
[M+NH4]+	386.04412	192.9
[M+K]+	406.97346	177.6
[M+H-H2O]+	351.00756	168.0
[M+HCOO]-	413.00850	190.7
[M+CH3COO]-	427.02415	186.7
[M+Na-2H]-	388.98497	174.9
[M]+	368.00975	180.5
[M]-	368.01085	180.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe