2-[2-(2-Cyano-3-fluoroanilino)-2-oxoethoxy]acetic acid

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Systematic / IUPAC Name: {2-[(2-Cyano-3-fluorophenyl)amino]-2-oxoethoxy}acetic acid

ID: Reference4485

Other Names: Acetic acid, 2-{2-[(2-cyano-3-fluorophenyl)amino]-2-oxoethoxy}-

Formula: C11H9FN2O4

Spectral Data

2-[2-(2-Cyano-3-fluoroanilino)-2-oxoethoxy]acetic 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/11/2016 7:11:47 AM
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Identificators

InChI InChI=1S/C11H9FN2O4/c12-8-2-1-3-9(7(8)4-13)14-10(15)5-18-6-11(16)17/h1-3H,5-6H2,(H,14,15)(H,16,17)
InChI Key NVOBWMGWRSZQSN-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C(=C1)F)C#N)NC(=O)COCC(=O)O
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Other Names Acetic acid, 2-{2-[(2-cyano-3-fluorophenyl)amino]-2-oxoethoxy}-

In Other Databases

ChemSpider 2093162
PubChem 2814777