Clonidine hydrochloride(4205-91-8) MS
Product NameClonidine hydrochloride
CAS4205-91-8
Molecular FormulaC9H10Cl3N3
Molecular Weight266.55
InChIInChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H
InChIKey ZNIFSRGNXRYGHF-UHFFFAOYSA-N
SmilesC1(=C(Cl)C=CC=C1Cl)NC1=NCCN1.Cl
-
MassMS-NW-1945 2-(2,6-dichloroanilino)-2-imidazoline hydrochloride C9H9Cl2N3 HCl (Mass of molecular ion: 229)
Source Temperature: 200 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 2.5 18.0 3.2 27.0 1.8 28.0 8.2 29.0 2.3 30.0 71.8 31.0 1.1 35.0 3.6 36.0 28.0 37.0 1.2 38.0 9.2 39.0 1.4 40.0 1.5 41.0 3.4 42.0 10.0 43.0 8.7 44.0 5.6 49.0 1.3 50.0 1.9 51.0 1.6 52.0 1.0 53.0 1.1 55.0 2.6 61.0 1.4 62.0 2.1 63.0 3.0 64.0 1.8 70.0 1.2 73.0 3.2 74.0 4.0 75.0 6.4 76.0 2.0 77.0 1.1 84.0 1.4 85.0 1.3 88.0 2.2 90.0 1.3 96.0 1.2 97.0 1.8 98.0 1.5 99.0 1.4 100.0 4.0 102.0 2.3 109.0 6.8 110.0 2.4 111.0 5.7 112.0 1.3 113.0 1.1 115.0 3.7 116.0 2.4 124.0 7.1 125.0 1.4 126.0 2.7 131.0 1.1 133.0 2.0 135.0 1.7 136.0 8.4 137.0 2.8 138.0 4.1 139.0 1.3 145.0 6.2 146.0 1.1 147.0 4.3 152.0 1.3 153.0 2.0 157.0 2.3 158.0 3.5 159.0 3.8 160.0 1.0 161.0 2.0 163.0 1.0 165.0 5.9 166.0 2.6 167.0 3.3 168.0 1.0 171.0 6.6 172.0 36.0 173.0 7.1 174.0 23.3 175.0 2.5 176.0 4.3 186.0 2.5 187.0 1.2 188.0 1.6 191.0 1.8 192.0 3.6 193.0 9.9 194.0 28.2 195.0 6.5 196.0 9.2 197.0 1.2 199.0 9.0 200.0 14.6 201.0 7.5 202.0 9.5 203.0 2.3 204.0 1.6 228.0 5.0 229.0 100.0 230.0 13.9 231.0 64.4 232.0 7.5 233.0 10.6 234.0 1.2
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C9 H9 Cl2 N3 0.040 g : 0.5 ml DMSO-d6 2-(2,6-dichloroanilino)-2-imidazoline hydrochloride 
Assign. Shift(ppm)
A 11.06 B 8.61 C 7.639 D 7.486 E 3.667
Hz ppm Int.4419.26 11.058 100 3441.52 8.612 391 3057.60 7.651 530 3057.05 7.650 591 3053.94 7.642 26 3052.65 7.639 31 3048.99 7.630 856 2999.35 7.505 328 2991.66 7.486 271 2990.74 7.484 270 2983.05 7.465 213 1465.88 3.668 1000
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
