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1-(2-Bromo-3,3,3-trifluoropropyl)pyridin-2(1H)-one
SpectraBase Compound ID IxbkAn1ESBH
InChI InChI=1S/C8H7BrF3NO/c9-6(8(10,11)12)5-13-4-2-1-3-7(13)14/h1-4,6H,5H2
InChIKey MTDWCCLYPYWRJY-UHFFFAOYSA-N
Mol Weight 270.05 g/mol
Molecular Formula C8H7BrF3NO
Exact Mass 268.966311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tf19fytSQv
Name 1-(2-Bromo-3,3,3-trifluoropropyl)pyridin-2(1H)-one
Appearance Yellow oil
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Exact Mass 268.966311337 u
Formula C8H7BrF3NO
InChI InChI=1S/C8H7BrF3NO/c9-6(8(10,11)12)5-13-4-2-1-3-7(13)14/h1-4,6H,5H2
InChIKey MTDWCCLYPYWRJY-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/asia.202300144
Molecular Weight 270.049 g/mol
Reported Formula C8H7BrF3NO
SMILES C(CN1C=CC=CC1=O)(Br)C(F)(F)F
SPLASH splash10-014j-9340000000-c9708ffa77d037a53162
Source of Spectrum CAJ-18-SM95-7 (DOI: 10.1002/asia.202300144)
Wiley ID 1909854