8-Chlorotheophylline(85-18-7) MS
Molecular FormulaC7H7ClN4O2
Molecular Weight214.61
InChIInChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChIKey RYIGNEOBDRVTHA-UHFFFAOYSA-N
SmilesN1C2=C(N(C)C(=O)N(C)C2=O)NC=1Cl
-
![](https://www.chemicalbook.com/Spectrum/85-18-7_MS.gif)
Mass
MS-NW-4728
8-chlorotheophylline
C7H7ClN4O2 (Mass of molecular ion: 214)
Source Temperature: 200 °C
Sample Temperature: 170 °C
Direct, 75 eV
14.0 1.6
15.0 33.6
17.0 1.6
18.0 7.8
27.0 4.6
28.0 15.9
29.0 2.5
30.0 2.3
36.0 2.2
38.0 2.6
39.0 3.2
40.0 19.1
41.0 38.0
42.0 18.2
43.0 1.2
47.0 1.7
49.0 1.3
52.0 2.5
53.0 39.0
54.0 5.4
55.0 2.2
56.0 10.0
57.0 2.2
58.0 5.9
62.0 7.0
64.0 2.5
65.0 1.5
66.0 6.8
67.0 43.5
68.0 100.0
69.0 7.7
70.0 4.5
73.0 2.1
74.0 1.1
75.0 1.1
76.0 3.8
78.0 2.6
80.0 1.6
81.0 1.4
82.0 1.3
87.0 3.1
89.0 1.6
93.0 1.9
94.0 13.1
95.0 7.9
96.0 1.2
101.0 1.5
102.0 9.0
103.0 1.1
104.0 2.8
115.0 1.3
122.0 1.7
128.0 8.5
129.0 78.5
130.0 17.7
131.0 26.7
132.0 5.1
142.0 1.0
144.0 1.6
152.0 3.0
156.0 6.5
157.0 19.9
158.0 7.0
159.0 8.2
160.0 1.8
170.0 1.9
171.0 1.2
180.0 2.4
185.0 9.2
186.0 1.6
187.0 3.2
213.0 1.1
214.0 99.3
215.0 9.4
216.0 31.1
217.0 3.0