3-(Trifluoromethyl)pyridin-2-yl 3-fluorobenzenesulfonate

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Systematic / IUPAC Name: 3-(Trifluoromethyl)-2-pyridinyl 3-fluorobenzenesulfonate

ID: Reference5012

Other Names: Benzenesulfonic acid, 3-fluoro-, 3-(trifluoromethyl)-2-pyridinyl ester

Formula: C12H7F4NO3S

Spectral Data

3-(Trifluoromethyl)pyridin-2-yl 3-fluorobenzenesulfonate 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 2
No. of Spectra 183
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/20/2016 9:58:30 AM
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Identificators

InChI InChI=1S/C12H7F4NO3S/c13-8-3-1-4-9(7-8)21(18,19)20-11-10(12(14,15)16)5-2-6-17-11/h1-7H
InChI Key NLJQJGZOWAHDGH-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC(=C1)S(=O)(=O)OC2=C(C=CC=N2)C(F)(F)F)F
CAS
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Other Names Benzenesulfonic acid, 3-fluoro-, 3-(trifluoromethyl)-2-pyridinyl ester

In Other Databases

ChemSpider 2028864
PubChem 2747415