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 187.2
[M+Na]+ 434.04125 191.4
[M-H]- 410.04475 186.3
[M+NH4]+ 429.08585 201.8
[M+K]+ 450.01519 188.4
[M+H-H2O]+ 394.04929 179.2
[M+HCOO]- 456.05023 204.7
[M+CH3COO]- 470.06588 192.8
[M+Na-2H]- 432.02670 185.7
[M]+ 411.05148 188.6
[M]- 411.05258 188.6
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

No patent data available for this compound.