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 185.2
[M+Na]+ 418.04632 188.3
[M-H]- 394.04982 184.0
[M+NH4]+ 413.09092 200.1
[M+K]+ 434.02026 185.2
[M+H-H2O]+ 378.05436 177.3
[M+HCOO]- 440.05530 201.4
[M+CH3COO]- 454.07095 190.5
[M+Na-2H]- 416.03177 183.0
[M]+ 395.05655 184.1
[M]- 395.05765 184.1
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.