CID 16684301

Di(phenylmercury) dodecylsuccinate

Structural Information

Molecular Formula
C28H38Hg2O4
SMILES
CCCCCCCCCCCCC(CC(=O)O[Hg]C1=CC=CC=C1)C(=O)O[Hg]C2=CC=CC=C2
InChI
InChI=1S/C16H30O4.2C6H5.2Hg/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;;/h14H,2-13H2,1H3,(H,17,18)(H,19,20);2*1-5H;;/q;;;2*+1/p-2
InChIKey
MQEJYIMYBBHTMM-UHFFFAOYSA-L
Compound name
2-[2-oxo-2-(phenylmercuriooxy)ethyl]tetradecanoyloxy-phenylmercury
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

842.2183 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 843.22558 297.3
[M+Na]+ 865.20752 292.9
[M-H]- 841.21102 297.2
[M+NH4]+ 860.25212 299.8
[M+K]+ 881.18146 286.0
[M+H-H2O]+ 825.21556 282.2
[M+HCOO]- 887.21650 309.6
[M+CH3COO]- 901.23215 251.0
[M+Na-2H]- 863.19297 285.0
[M]+ 842.21775 303.6
[M]- 842.21885 303.6
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

patents stripe