585-76-2

3-Bromobenzoic acid(585-76-2) IR1

Product Name3-Bromobenzoic acid

CAS 585-76-2

Molecular FormulaC7H5BrO2

Molecular Weight201.02

InChIInChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

InChIKey VOIZNVUXCQLQHS-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=CC(Br)=C1

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3-Bromobenzoic acid(585-76-2) IR1
Mass

MS-NW-1878          
m-bromobenzoic acid
C7H5BrO2            (Mass of molecular ion:    200)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       2.5
      26.0       1.2
      27.0       1.9
      28.0       2.4
      36.0       1.0
      37.0       7.2
      38.0      14.2
      39.0      10.9
      44.0       1.7
      45.0       6.2
      49.0       5.6
      50.0      47.3
      51.0      17.8
      52.0       2.1
      53.0       3.2
      60.5       2.6
      61.0       2.2
      62.0       1.9
      63.0       3.8
      64.0       2.3
      65.0      24.0
      66.0       1.7
      73.0       6.8
      74.0      27.3
      75.0      40.0
      76.0      37.9
      77.0      16.5
      77.5       1.6
      78.0       1.3
      78.5       1.5
      79.0       1.5
      81.0       1.4
      91.5       1.5
      92.0       2.0
      92.5       1.4
      93.0       3.4
     103.0       1.5
     104.0       1.5
     121.0       2.8
     129.0       1.3
     131.0       1.3
     154.0       1.3
     155.0      36.6
     156.0       3.8
     157.0      34.8
     158.0       2.5
     172.0       1.8
     174.0       1.8
     183.0      65.4
     184.0       6.0
     185.0      63.7
     186.0       5.0
     200.0     100.0
     201.0       8.2
     202.0      98.8
     203.0       7.6