CID 422704

Didodecylmercury

Structural Information

Molecular Formula

C₂₄H₅₀Hg

SMILES

CCCCCCCCCCCC[Hg]CCCCCCCCCCCC

InChI

InChI=1S/2C12H25.Hg/c2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*1,3-12H2,2H3;

InChIKey

SIKMYRLHKSUYRD-UHFFFAOYSA-N

Compound name

didodecylmercury

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 540.3619 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]+	541.36918	241.6
[M+Na]+	563.35112	239.4
[M-H]-	539.35462	236.7
[M+NH4]+	558.39572	252.9
[M+K]+	579.32506	233.0
[M+H-H2O]+	523.35916	231.7
[M+HCOO]-	585.36010	256.9
[M+CH3COO]-	599.37575	231.8
[M+Na-2H]-	561.33657	234.5
[M]+	540.36135	250.3
[M]-	540.36245	250.3

Literature stripe

literature stripe

Patent stripe

patents stripe