2-Chlorobenzoic acid
133
Reference
2-Chlorobenzoic acid Structure
Systematic / IUPAC Name: 2-Chlorobenzoic acid
ID: Reference133
Other Names:
o-Chlorobenzoic acid;
Benzoic acid, 2-chloro-;
Benzoic acid, o-chloro-;
2-CBA;
o-CBA
Formula: C7H5ClO2
Spectral Data
2-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 | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 41 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/5/2014 3:14:35 PM |
Identificators
| InChI | InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) |
| InChI Key | IKCLCGXPQILATA-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C(=C1)C(=O)O)Cl |
| CAS | 118912 |
| Splash | |
| Other Names |
o-Chlorobenzoic acid; Benzoic acid, 2-chloro-; Benzoic acid, o-chloro-; 2-CBA; o-CBA |
In Other Databases
| Wikipedia | 2-Chlorobenzoic acid |
| ChEBI | CHEBI:30793 |
| ChEMBL | CHEMBL115243 |
| ChemSpider | 8071 |
| ChemIDPlus | 000118912; 028358216; 017264743 |
| KEGG | C02357 |
| PubChem | 8374 |