3-Bromo-4-fluorobenzoic acid(1007-16-5) IR1
Product Name3-Bromo-4-fluorobenzoic acid
CAS1007-16-5
Molecular FormulaC7H4BrFO2
Molecular Weight219.01
InChIInChI=1S/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey ONELILMJNOWXSA-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(F)C(Br)=C1
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MassMS2002-01312WA 3-bromo-4-fluorobenzoic acid C7H4BrFO2 (Mass of molecular ion: 218)
Source Temperature: 250 °C Sample Temperature: 270 °C Reservoir, 70 eV
18.0 1.1 31.0 1.8 37.0 2.7 38.0 1.7 39.0 1.0 45.0 3.9 47.0 2.4 49.0 1.6 50.0 10.9 51.0 1.8 53.0 1.1 56.0 1.5 57.0 4.6 61.0 4.1 62.0 3.9 63.0 4.2 68.0 10.8 69.0 2.7 73.0 3.4 74.0 14.3 75.0 10.9 79.0 1.0 81.0 2.4 82.0 1.9 83.0 10.3 86.5 1.8 87.5 1.7 92.0 4.8 93.0 13.0 94.0 44.5 95.0 9.2 100.5 2.2 101.5 2.1 110.0 1.3 121.0 1.1 122.0 2.4 172.0 1.1 173.0 31.9 174.0 3.2 175.0 30.9 176.0 2.1 190.0 1.2 192.0 1.1 199.0 1.0 201.0 76.3 202.0 6.2 203.0 73.7 204.0 5.5 217.0 1.2 218.0 100.0 219.0 8.5 220.0 96.9 221.0 7.2
KBr disk
Nujol
