Chlorothiazide(58-94-6) IR1
Product NameChlorothiazide
CAS58-94-6
Molecular FormulaC7H6ClN3O4S2
Molecular Weight295.72
InChIInChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey JBMKAUGHUNFTOL-UHFFFAOYSA-N
SmilesS1(=O)(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2N=CN1
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MassMS-IW-4627 6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide C7H6ClN3O4S2 (Mass of molecular ion: 295)
Source Temperature: 190 °C Sample Temperature: 300 °C Direct, 75 eV
17.0 1.5 18.0 3.5 27.0 4.0 28.0 7.6 35.0 1.0 36.0 12.7 37.0 1.3 38.0 4.4 39.0 1.3 42.0 1.1 43.0 1.1 44.0 3.5 45.0 1.4 48.0 7.9 49.0 1.1 50.0 2.7 51.0 1.9 52.0 7.3 53.0 1.3 61.0 5.7 62.0 14.6 63.0 4.6 64.0 30.8 65.0 2.3 66.0 1.6 69.0 1.7 72.0 1.5 73.0 4.9 74.0 3.0 75.0 3.2 76.0 6.0 77.0 2.4 78.0 4.1 79.0 1.3 80.0 1.7 85.0 1.5 86.0 1.5 87.0 2.5 88.0 11.9 89.0 7.7 90.0 2.9 91.0 1.4 93.0 1.9 96.0 1.7 97.0 19.3 98.0 4.3 99.0 6.6 100.0 1.9 103.0 1.0 104.0 1.1 105.0 10.0 106.0 1.9 107.0 1.4 108.0 1.5 109.0 1.4 111.0 2.4 112.0 5.2 113.0 4.6 114.0 3.2 115.0 1.9 116.0 1.5 117.0 1.5 120.0 1.0 123.0 5.3 124.0 21.1 125.0 6.1 126.0 7.1 127.0 1.7 128.0 1.1 129.0 1.2 132.0 2.4 133.0 1.8 134.0 1.0 138.0 1.3 139.0 4.5 140.0 17.6 141.0 8.9 142.0 13.2 143.0 3.1 144.0 3.3 151.0 4.9 152.0 2.4 153.0 3.0 154.0 2.1 155.0 1.7 156.0 2.1 160.0 2.2 167.0 4.4 168.0 3.3 169.0 4.2 170.0 3.5 171.0 1.3 172.0 1.6 182.0 1.3 187.0 6.5 188.0 18.0 189.0 6.2 190.0 6.9 191.0 1.6 197.0 2.1 204.0 6.2 205.0 4.3 206.0 2.7 207.0 1.6 215.0 8.3 216.0 6.1 217.0 3.8 218.0 2.3 231.0 13.3 232.0 14.6 233.0 21.3 234.0 8.4 235.0 6.4 236.0 1.5 251.0 4.1 252.0 1.2 253.0 1.8 261.0 2.2 268.0 76.4 269.0 7.4 270.0 32.7 271.0 3.0 272.0 2.7 279.0 11.1 280.0 1.2 281.0 4.7 295.0 100.0 296.0 12.3 297.0 42.2 298.0 5.2 299.0 3.7
KBr disc
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