4-[(3-Chlorobenzyl)amino]-2,2,3,3-tetrafluoro-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-[(3-Chlorobenzyl)amino]-2,2,3,3-tetrafluoro-4-oxobutanoic acid

ID: Reference3880

Other Names: Butanoic acid, 4-{[(3-chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxo-

Formula: C11H8ClF4NO3

Spectral Data

4-[(3-Chlorobenzyl)amino]-2,2,3,3-tetrafluoro-4-oxobutanoic 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 93
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/16/2016 11:42:48 AM
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Identificators

InChI InChI=1S/C11H8ClF4NO3/c12-7-3-1-2-6(4-7)5-17-8(18)10(13,14)11(15,16)9(19)20/h1-4H,5H2,(H,17,18)(H,19,20)
InChI Key ROWVCMHQAVXBKO-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC(=C1)Cl)CNC(=O)C(C(C(=O)O)(F)F)(F)F
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Other Names Butanoic acid, 4-{[(3-chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxo-

In Other Databases

PubChem 2738283
ChemSpider 2019908