(+/-)-threo-4-Fluoromethylphenidate

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Systematic / IUPAC Name: Methyl (2S)-(4-fluorophenyl)[(2S)-2-piperidinyl]acetate

ID: Reference5910

Other Names: 2-Piperidineacetic acid, α-(4-fluorophenyl)-, methyl ester, (αS,2S)-

Formula: C14H18FNO2

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

(+/-)-threo-4-Fluoromethylphenidate 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/7/2016 1:43:45 PM
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Identificators

InChI InChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m0/s1
InChI Key XISBAJBPDVRSPG-STQMWFEESA-N
Canonical SMILES COC(=O)C(C1CCCCN1)C2=CC=C(C=C2)F
CAS
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Other Names 2-Piperidineacetic acid, α-(4-fluorophenyl)-, methyl ester, (αS,2S)-

In Other Databases

ChEMBL CHEMBL1194927
Wikipedia 4-Fluoromethylphenidate
PubChem 10753242
ChemSpider 8928565