CID 16683694

104-59-6

Structural Information

Molecular Formula
C24H40HgO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[Hg]C1=CC=CC=C1
InChI
InChI=1S/C18H36O2.C6H5.Hg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1;/h2-17H2,1H3,(H,19,20);1-5H;/q;;+1/p-1
InChIKey
CZXFRQGYSLUIRC-UHFFFAOYSA-M
Compound name
octadecanoyloxy(phenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.2735 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.28078 240.5
[M+Na]+ 585.26272 239.4
[M-H]- 561.26622 239.3
[M+NH4]+ 580.30732 250.1
[M+K]+ 601.23666 233.2
[M+H-H2O]+ 545.27076 229.3
[M+HCOO]- 607.27170 256.9
[M+CH3COO]- 621.28735 229.8
[M+Na-2H]- 583.24817 234.5
[M]+ 562.27295 247.6
[M]- 562.27405 247.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.