Haloperidol metabolite III

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Systematic / IUPAC Name: 4-(4-Fluorophenyl)-4-oxobutanoic acid

ID: Reference7290

Other Names: β-(4-Fluorobenzoyl)propionic acid;
3-(p-Fluorobenzoyl)-propionic acid;
3-(4-Fluorobenzoyl) propionic acid;
3-(4-Fluorobenzoyl)propanoic acid;
3-(4'-Fluorobenzoyl)propionic acid ; more

Formula: C10H9FO3

Class: Therapeutics/Prescription Drugs

Spectral Data

Haloperidol metabolite III 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 2
No. of Spectra 250
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/24/2018 2:37:23 PM
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Identificators

InChI InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key WUYWHIAAQYQKPP-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C(=O)CCC(=O)O)F
CAS 366778
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Other Names β-(4-Fluorobenzoyl)propionic acid;
3-(p-Fluorobenzoyl)-propionic acid;
3-(4-Fluorobenzoyl) propionic acid;
3-(4-Fluorobenzoyl)propanoic acid;
3-(4'-Fluorobenzoyl)propionic acid;
4-(4-Fluorophenyl)-4-oxobutyric acid;
Benzenebutanoic acid, 4-fluoro-γ-oxo-

In Other Databases

ChemIDPlus 000366778
ChEMBL CHEMBL3544869
PubChem 101359
ChemSpider 91589