CID 6045

P-chloro-mercuric benzoic acid

Structural Information

Molecular Formula
C7H5HgO2
SMILES
C1=CC(=CC=C1C(=O)O)[Hg+]
InChI
InChI=1S/C7H5O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h2-5H,(H,8,9);/q;+1
InChIKey
MGMQAZXDRJETOM-UHFFFAOYSA-N
Compound name
(4-carboxyphenyl)mercury(1+)
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

207
References

6
Patents

322.9996 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.006876 163.2
[M+Na]+ 345.988818 170.0
[M-H]- 321.992324 164.9
[M+NH4]+ 341.033423 182.1
[M+K]+ 361.962758 161.9
[M+H-H2O]+ 305.996860 159.2
[M+HCOO]- 367.997801 183.9
[M+CH3COO]- 382.013451 171.3
[M+Na-2H]- 343.974266 167.8
[M]+ 322.99905142 161.6
[M]- 323.00014858 161.6
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