52950-18-2

(R)-(-)-2-Chloromandelic acid(52950-18-2) MS

Product Name(R)-(-)-2-Chloromandelic acid

CAS 52950-18-2

Molecular FormulaC8H7ClO3

Molecular Weight186.59

InChIInChI=1/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/s3

InChIKey RWOLDZZTBNYTMS-KPOCXSGKNA-N

SmilesC1(=CC=CC=C1Cl)[C@@H](O)C(=O)O |&1:7,r|

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¹HNMR

IR1

IR2

(R)-(-)-2-Chloromandelic acid(52950-18-2) MS
Mass

MS2004-02523WA      
2-chloro-D-mandelic acid
C8H7ClO3            (Mass of molecular ion:    186)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 70 eV

      28.0       1.6
      29.0       2.0
      38.0       1.5
      39.0       2.1
      45.0       3.3
      50.0       6.8
      51.0      17.0
      52.0       2.2
      61.0       1.1
      62.0       1.7
      63.0       2.5
      73.0       1.2
      74.0       3.3
      75.0       7.3
      76.0       4.1
      77.0      89.2
      78.0       7.6
      79.0       1.4
      85.0       1.1
      89.0       4.5
     105.0       8.0
     111.0       5.4
     112.0       1.0
     113.0      22.2
     114.0       1.6
     115.0       6.8
     124.0       2.7
     139.0       6.6
     140.0       2.9
     141.0     100.0
     142.0      10.4
     143.0      32.1
     144.0       3.0
     169.0       1.0
     186.0       5.8
     188.0       1.8