CID 1730

4-chloromercuribenzoic acid

Structural Information

Molecular Formula
C7H5ClHgO2
SMILES
C1=CC(=CC=C1C(=O)O)[Hg]Cl
InChI
InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1
InChIKey
YFZOUMNUDGGHIW-UHFFFAOYSA-M
Compound name
(4-carboxyphenyl)-chloromercury
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

421
References

5811
Patents

357.96844 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.97572 159.6
[M+Na]+ 380.95766 172.4
[M+NH4]+ 376.00226 167.6
[M+K]+ 396.93160 164.4
[M-H]- 356.96116 160.7
[M+Na-2H]- 378.94311 164.5
[M]+ 357.96789 161.9
[M]- 357.96899 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe