CID 45194

Acetic acid, (p-(2-hydroxy-3-(hydroxymercuri)propyl)phenoxy)-, sodium salt

Structural Information

Molecular Formula
C11H13HgO4
SMILES
C1=CC(=CC=C1CC(C[Hg])O)OCC(=O)O
InChI
InChI=1S/C11H13O4.Hg/c1-8(12)6-9-2-4-10(5-3-9)15-7-11(13)14;/h2-5,8,12H,1,6-7H2,(H,13,14);
InChIKey
SWMNYKOSYMDPKU-UHFFFAOYSA-N
Compound name
[3-[4-(carboxymethoxy)phenyl]-2-hydroxypropyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.05203 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.05931 179.3
[M+Na]+ 434.04125 188.5
[M+NH4]+ 429.08585 184.6
[M+K]+ 450.01519 182.6
[M-H]- 410.04475 178.4
[M+Na-2H]- 432.02670 181.0
[M]+ 411.05148 179.9
[M]- 411.05258 179.9
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.