N-Acetyl-3-(3-chloro-4-fluoroanilino)-2-cyanoacrylamide

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Systematic / IUPAC Name: (2E)-N-Acetyl-3-[(3-chloro-4-fluorophenyl)amino]-2-cyanoacrylamide

ID: Reference4699

Other Names: 2-Propenamide, N-acetyl-3-[(3-chloro-4-fluorophenyl)amino]-2-cyano, (2E)-

Formula: C12H9ClFN3O2

Spectral Data

N-Acetyl-3-(3-chloro-4-fluoroanilino)-2-cyanoacrylamide 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 4/28/2016 10:24:11 AM
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Identificators

InChI InChI=1S/C12H9ClFN3O2/c1-7(18)17-12(19)8(5-15)6-16-9-2-3-11(14)10(13)4-9/h2-4,6,16H,1H3,(H,17,18,19)/b8-6+
InChI Key OSRHQIMVDRFFKJ-SOFGYWHQSA-N
Canonical SMILES CC(=O)NC(=O)C(=CNC1=CC(=C(C=C1)F)Cl)C#N
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Other Names 2-Propenamide, N-acetyl-3-[(3-chloro-4-fluorophenyl)amino]-2-cyano, (2E)-

In Other Databases

ChemSpider 2101041
PubChem 2822828