3-Chlorobenzoic acid
3071
Reference
3-Chlorobenzoic acid Structure
Systematic / IUPAC Name: 3-Chlorobenzoic acid
ID: Reference3071
Other Names:
m-Chlorobenzoic acid;
3-Cholro-benzoate;
Benzoic acid, m-chloro-;
Benzoic acid, 3-chloro-
Formula: C7H5ClO2
Class: Therapeutics/Prescription Drugs Endogenous Metabolites Sports Doping Drugs
Spectral Data
3-Chlorobenzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 49 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | APCI |
| Analyzers | FT |
| Last Modification | 8/2/2016 7:54:08 AM |
Identificators
| InChI | InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
| InChI Key | LULAYUGMBFYYEX-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CC(=C1)Cl)C(=O)O |
| CAS | 535808 |
| Splash | |
| Other Names |
m-Chlorobenzoic acid; 3-Cholro-benzoate; Benzoic acid, m-chloro-; Benzoic acid, 3-chloro- |