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3-Bromo-4-fluorobenzoic acid
SpectraBase Compound ID 4UtZ5QuUbUk
InChI InChI=1S/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey ONELILMJNOWXSA-UHFFFAOYSA-N
Mol Weight 219.01 g/mol
Molecular Formula C7H4BrFO2
Exact Mass 217.937871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BonroYEnw
Name 3-Bromo-4-fluorobenzoic acid
Alternate Name(s) 3-bromanyl-4-fluoranyl-benzoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C7H4BrFO2
InChI InChI=1S/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey ONELILMJNOWXSA-UHFFFAOYSA-N
Molecular Weight 219.009 g/mol
SMILES OC(c1cc(c(cc1)F)Br)=O
SPLASH splash10-01b9-0090000000-3aefe638974a06385f55
Source of Spectrum KC-0-1663-0
Wiley ID 786000