CID 16685110

(2,2-diphenyl-2-hydroxyethyl)mercuri acetate

Structural Information

Molecular Formula
C16H16HgO3
SMILES
CC(=O)O[Hg]CC(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C14H13O.C2H4O2.Hg/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2(3)4;/h2-11,15H,1H2;1H3,(H,3,4);/q;;+1/p-1
InChIKey
FAUXILBERNTIJN-UHFFFAOYSA-M
Compound name
acetyloxy-(2-hydroxy-2,2-diphenylethyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.0806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.08788 200.3
[M+Na]+ 481.06982 203.9
[M-H]- 457.07332 203.5
[M+NH4]+ 476.11442 213.2
[M+K]+ 497.04376 199.4
[M+H-H2O]+ 441.07786 190.9
[M+HCOO]- 503.07880 218.2
[M+CH3COO]- 517.09445 201.7
[M+Na-2H]- 479.05527 201.9
[M]+ 458.08005 200.9
[M]- 458.08115 200.9
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.