CID 1730

P-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
6
Annotation Hits

421
References

9769
Patents

357.96844 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.97572 167.4
[M+Na]+ 380.95766 175.0
[M-H]- 356.96116 168.5
[M+NH4]+ 376.00226 186.0
[M+K]+ 396.93160 170.2
[M+H-H2O]+ 340.96570 161.3
[M+HCOO]- 402.96664 183.8
[M+CH3COO]- 416.98229 182.2
[M+Na-2H]- 378.94311 169.4
[M]+ 357.96789 169.0
[M]- 357.96899 169.0
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.