122-88-3

4-Chlorophenoxyacetic acid(122-88-3) IR2

Product Name4-Chlorophenoxyacetic acid

CAS 122-88-3

Molecular FormulaC8H7ClO3

Molecular Weight186.59

InChIInChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey SODPIMGUZLOIPE-UHFFFAOYSA-N

SmilesC(O)(=O)COC1=CC=C(Cl)C=C1

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4-Chlorophenoxyacetic acid(122-88-3) IR2
Mass

MS2014-05082CW      
(p-chlorophenoxy)acetic acid
C8H7ClO3            (Mass of molecular ion:    186)

   Source Temperature: 240 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      17.0       1.1
      18.0       5.3
      28.0       2.1
      29.0       1.5
      31.0       2.5
      37.0       1.3
      38.0       3.1
      39.0       3.2
      42.0       1.5
      43.0       3.0
      45.0       1.9
      50.0       9.0
      51.0       5.1
      58.0       1.2
      61.0       1.8
      62.0       3.2
      63.0       9.3
      64.0       3.7
      65.0       3.4
      70.5       1.6
      73.0       7.9
      74.0       5.7
      75.0      24.7
      76.0       5.5
      77.0      12.6
      78.0       1.6
      79.0       1.0
      85.0       2.7
      92.0       2.1
      93.0       1.0
      99.0      23.5
     100.0       2.9
     101.0       7.6
     111.0      53.8
     112.0       4.8
     113.0      30.9
     114.0       2.4
     115.0       4.8
     127.0      18.8
     128.0      50.9
     129.0       9.3
     130.0      16.1
     131.0       1.1
     141.0      82.4
     142.0       6.3
     143.0      26.2
     144.0       2.2
     186.0     100.0
     187.0       8.7
     188.0      32.2
     189.0       2.8

in DMSO-d6