CID 16683090

Mercury, diphenyl(mu-((tetrapropenyl)butanedioato(2-)-o:o'))di-

Structural Information

Molecular Formula
C28H36Hg2O4
SMILES
CCCCCCC/C=C/CCCC(CC(=O)O[Hg]C1=CC=CC=C1)C(=O)O[Hg]C2=CC=CC=C2
InChI
InChI=1S/C16H28O4.2C6H5.2Hg/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;2*1-2-4-6-5-3-1;;/h8-9,14H,2-7,10-13H2,1H3,(H,17,18)(H,19,20);2*1-5H;;/q;;;2*+1/p-2/b9-8+;;;;
InChIKey
KQWJRKDZPFQKFW-HUMMXKGPSA-L
Compound name
[(E)-2-[2-oxo-2-(phenylmercuriooxy)ethyl]tetradec-6-enoyl]oxy-phenylmercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

840.20264 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 841.20992 296.1
[M+Na]+ 863.19186 292.1
[M-H]- 839.19536 296.2
[M+NH4]+ 858.23646 298.8
[M+K]+ 879.16580 284.6
[M+H-H2O]+ 823.19990 281.2
[M+HCOO]- 885.20084 308.7
[M+CH3COO]- 899.21649 249.7
[M+Na-2H]- 861.17731 283.9
[M]+ 840.20209 301.7
[M]- 840.20319 301.7
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

patents stripe