2-[(4-Chlorobenzyl)sulfonyl]-3-[3,5-bis(trifluoromethyl)anilino]acrylonitrile

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Systematic / IUPAC Name: (2E)-3-{[3,5-Bis(trifluoromethyl)phenyl]amino}-2-[(4-chlorobenzyl)sulfonyl]acrylonitrile

ID: Reference3939

Other Names: 2-Propenenitrile, 3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-{[(4-chlorophenyl)methyl]sulfonyl}-, (2E)-

Formula: C18H11ClF6N2O2S

Spectral Data

2-[(4-Chlorobenzyl)sulfonyl]-3-[3,5-bis(trifluoromethyl)anilino]acrylonitrile 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 2/24/2016 8:01:29 AM
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Identificators

InChI InChI=1S/C18H11ClF6N2O2S/c19-14-3-1-11(2-4-14)10-30(28,29)16(8-26)9-27-15-6-12(17(20,21)22)5-13(7-15)18(23,24)25/h1-7,9,27H,10H2/b16-9+
InChI Key XLGVGEWLXZCBCH-CXUHLZMHSA-N
Canonical SMILES C1=CC(=CC=C1CS(=O)(=O)C(=CNC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N)Cl
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Other Names 2-Propenenitrile, 3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-{[(4-chlorophenyl)methyl]sulfonyl}-, (2E)-

In Other Databases

ChemSpider 2097451
PubChem 2819217