CID 40070

Diheptylmercury

Structural Information

Molecular Formula

C₁₄H₃₀Hg

SMILES

CCCCCCC[Hg]CCCCCCC

InChI

InChI=1S/2C7H15.Hg/c2*1-3-5-7-6-4-2;/h2*1,3-7H2,2H3;

InChIKey

OWPLINHVUZVCHR-UHFFFAOYSA-N

Compound name

diheptylmercury

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 400.20538 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]+	401.21266	197.6
[M+Na]+	423.19460	199.6
[M-H]-	399.19810	194.8
[M+NH4]+	418.23920	214.7
[M+K]+	439.16854	196.0
[M+H-H2O]+	383.20264	189.7
[M+HCOO]-	445.20358	216.3
[M+CH3COO]-	459.21923	202.2
[M+Na-2H]-	421.18005	195.9
[M]+	400.20483	202.5
[M]-	400.20593	202.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe