1122-44-7

5-Iodocytosine(1122-44-7) IR1

Product Name5-Iodocytosine

CAS 1122-44-7

Molecular FormulaC4H4IN3O

Molecular Weight237

InChIInChI=1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

InChIKey UFVWJVAMULFOMC-UHFFFAOYSA-N

SmilesC1(=O)NC(N)=C(I)C=N1

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IR1

IR2

5-Iodocytosine(1122-44-7) IR1
Mass

MS-IW-2412          
4-amino-5-iodo-2-pyrimidinol
C4H4IN3O            (Mass of molecular ion:    237)

   Source Temperature: 130 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.3
      28.0       6.4
      29.0       1.0
      38.0       1.8
      39.0       2.4
      40.0       7.0
      41.0       1.8
      42.0       1.9
      43.0       5.5
      44.0       1.6
      52.0       2.3
      53.0       2.5
      54.0       2.1
      55.0       4.6
      65.0       1.6
      66.0       4.2
      67.0       8.5
      68.0       4.4
      69.0       2.9
      82.0       1.2
      83.0       4.4
      93.0       2.9
     109.0       1.7
     110.0      57.4
     111.0       4.4
     118.5       2.0
     127.0       6.6
     128.0       2.9
     139.0       1.7
     152.0       2.6
     166.0       3.5
     167.0       5.5
     168.0       1.2
     181.0       1.2
     194.0       3.8
     195.0       5.6
     221.0       1.2
     237.0     100.0
     238.0       5.6

KBr disc