CID 16683090

Bis(phenylmercury) dodecenylsuccinate

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

31
Patents

840.20264 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 841.20992 279.6
[M+Na]+ 863.19186 287.4
[M+NH4]+ 858.23646 282.1
[M+K]+ 879.16580 275.1
[M-H]- 839.19536 280.6
[M+Na-2H]- 861.17731 279.4
[M]+ 840.20209 280.5
[M]- 840.20319 280.5
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