CID 115681

Sodium salt of hydroxymercuripropanol phenylacetic acid

Structural Information

Molecular Formula
C11H13HgO3
SMILES
C1=CC=C(C=C1)C(CC(C[Hg])O)C(=O)O
InChI
InChI=1S/C11H13O3.Hg/c1-8(12)7-10(11(13)14)9-5-3-2-4-6-9;/h2-6,8,10,12H,1,7H2,(H,13,14);
InChIKey
UXWVZSRKKPKZRY-UHFFFAOYSA-N
Compound name
(4-carboxy-2-hydroxy-4-phenylbutyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.0571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.06438 176.8
[M+Na]+ 418.04632 185.7
[M+NH4]+ 413.09092 182.6
[M+K]+ 434.02026 179.9
[M-H]- 394.04982 176.1
[M+Na-2H]- 416.03177 178.8
[M]+ 395.05655 177.5
[M]- 395.05765 177.5
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

No patent data available for this compound.