Pimozide(2062-78-4) MS
Molecular FormulaC28H29F2N3O
Molecular Weight461.55
InChIInChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
InChIKey YVUQSNJEYSNKRX-UHFFFAOYSA-N
SmilesC1(=O)N(C2CCN(CCCC(C3=CC=C(F)C=C3)C3=CC=C(F)C=C3)CC2)C2=CC=CC=C2N1
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Mass
MS2011-04587CW
1-(1-(4,4-bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone
C28H29F2N3O (Mass of molecular ion: 461)
Source Temperature: 235 °C
Sample Temperature: 20 °C
Direct, 70 eV
17.0 1.1
18.0 4.6
28.0 4.4
32.0 1.3
39.0 1.5
41.0 7.3
42.0 30.1
43.0 3.7
44.0 18.9
51.0 1.8
52.0 2.2
53.0 2.1
54.0 2.3
55.0 7.9
56.0 4.9
57.0 3.6
58.0 1.2
65.0 1.4
67.0 5.6
68.0 4.8
69.0 3.6
70.0 4.0
77.0 1.3
78.0 1.9
79.0 4.8
80.0 4.4
81.0 1.6
82.0 26.3
83.0 26.2
84.0 15.0
85.0 1.0
90.0 1.3
92.0 1.3
93.0 1.2
94.0 2.7
95.0 2.4
96.0 28.3
97.0 3.2
98.0 1.9
101.0 2.1
103.0 1.4
105.0 2.4
106.0 5.8
107.0 1.3
108.0 1.7
109.0 21.5
110.0 1.9
111.0 1.3
115.0 2.3
115.5 4.1
118.0 1.1
119.0 2.2
120.0 1.3
121.0 1.9
122.0 3.7
123.0 2.2
124.0 1.0
130.0 1.1
131.0 3.1
132.0 1.4
133.0 2.7
134.0 17.9
135.0 6.8
144.0 1.2
145.0 2.4
146.0 1.3
147.0 8.1
148.0 1.1
149.0 3.0
159.0 1.2
160.0 2.3
161.0 1.6
170.0 1.0
171.0 1.1
172.0 1.4
173.0 4.8
174.0 2.1
183.0 11.1
184.0 1.8
187.0 44.7
188.0 7.5
200.0 2.2
201.0 11.1
202.0 3.6
203.0 12.8
204.0 2.3
214.0 1.1
215.0 1.0
216.0 2.0
217.0 31.7
218.0 4.8
229.0 1.1
230.0 100.0
231.0 15.2
232.0 1.5
243.0 1.0
244.0 1.2
245.0 3.0
256.0 1.9
286.0 1.1
324.0 10.3
325.0 4.0
326.0 5.3
327.0 2.4
328.0 1.5
460.0 1.0
461.0 23.7
462.0 7.5
463.0 1.2