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2-(4-chlorophenyl)sulfanyl-2-fluoranyl-ethanenitrile
SpectraBase Compound ID GzIU5XMRiTu
InChI InChI=1S/C8H5ClFNS/c9-6-1-3-7(4-2-6)12-8(10)5-11/h1-4,8H
InChIKey ILYQTJWFCBIGQE-UHFFFAOYSA-N
Mol Weight 201.65 g/mol
Molecular Formula C8H5ClFNS
Exact Mass 200.981526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUty44umRRW
Name 2-(4-chlorophenyl)sulfanyl-2-fluoranyl-ethanenitrile
Alternate Name(s) 2-(4-chlorophenyl)sulfanyl-2-fluoro-acetonitrile 2-[(4-chlorophenyl)thio]-2-fluoro-acetonitrile 2-[(4-chlorophenyl)thio]-2-fluoroacetonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C8H5ClFNS
InChI InChI=1S/C8H5ClFNS/c9-6-1-3-7(4-2-6)12-8(10)5-11/h1-4,8H
InChIKey ILYQTJWFCBIGQE-UHFFFAOYSA-N
Molecular Weight 201.646 g/mol
SMILES C(C(F)Sc1ccc(cc1)Cl)#N
SPLASH splash10-0f6x-0970000000-f4e33a4f950a828e408d
Source of Spectrum AJ-75-1602-2
Wiley ID 1577020