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
6
Annotation Hits

421
References

9668
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

literature stripe

Patent stripe

patents stripe