5-Fluoroindole-2-carboxylic acid

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Systematic / IUPAC Name: 5-Fluoro-1H-indole-2-carboxylic acid

ID: Reference2625

Other Names: 2-Carboxy-5-fluoro-1H-indole;
2-Carboxy-5-fluoroindole;
1H-Indole-2-carboxylic acid, 5-fluoro-

Formula: C9H6FNO2

Class: Therapeutics/Prescription Drugs

Spectral Data

5-Fluoroindole-2-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/23/2015 11:13:23 AM
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Identificators

InChI InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChI Key WTXBRZCVLDTWLP-UHFFFAOYSA-N
Canonical SMILES C1=CC2=C(C=C1F)C=C(N2)C(=O)O
CAS 399768
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Other Names 2-Carboxy-5-fluoro-1H-indole;
2-Carboxy-5-fluoroindole;
1H-Indole-2-carboxylic acid, 5-fluoro-

In Other Databases

PubChem 1820
ChemSpider 1754
ChEMBL CHEMBL23507
ChemIDPlus 000399768