CID 16682927

Mersolite 37

Structural Information

Molecular Formula

C₂₀H₁₄Hg₂O₄

SMILES

C1=CC=C(C=C1)[Hg]OC(=O)C2=CC=CC=C2C(=O)O[Hg]C3=CC=CC=C3

InChI

InChI=1S/C8H6O4.2C6H5.2Hg/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-2-4-6-5-3-1;;/h1-4H,(H,9,10)(H,11,12);2*1-5H;;/q;;;2*+1/p-2

InChIKey

QFHSQCRSFKLKMT-UHFFFAOYSA-L

Compound name

phenyl-[2-(phenylmercuriooxycarbonyl)benzoyl]oxymercury

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 722.0305 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]+	723.037776	254.6
[M+Na]+	745.019718	256.1
[M-H]-	721.023224	260.3
[M+NH4]+	740.064323	261.9
[M+K]+	760.993658	250.2
[M+H-H2O]+	705.027760	240.3
[M+HCOO]-	767.028701	272.0
[M+CH3COO]-	781.044351	224.7
[M+Na-2H]-	743.005166	249.6
[M]+	722.02995142	256.2
[M]-	722.03104858	256.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe