2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one

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Systematic / IUPAC Name: 2-(3-Chloro-2-fluorophenyl)-1,2-thiazol-3(2H)-one

ID: Reference3946

Other Names: 2-(3-Chloro-2-fluorophenyl)-3(2H)-isothiazolone;
2-(3-Chloro-2-fluorophenyl)isothiazol-3(2H)-one;
3(2H)-Isothiazolone, 2-(3-chloro-2-fluorophenyl)-

Formula: C9H5ClFNOS

Spectral Data

2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one 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 12:53:32 PM
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Identificators

InChI InChI=1S/C9H5ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14-12/h1-5H
InChI Key FLVXYAGCEOJNQC-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C(=C1)Cl)F)N2C(=O)C=CS2
CAS
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Other Names 2-(3-Chloro-2-fluorophenyl)-3(2H)-isothiazolone;
2-(3-Chloro-2-fluorophenyl)isothiazol-3(2H)-one;
3(2H)-Isothiazolone, 2-(3-chloro-2-fluorophenyl)-

In Other Databases

PubChem 615185
ChemSpider 534722