3-(4-氯苯基)戊二酸(35271-74-0)质谱(MS)
分子式:C11H11ClO4
分子量: 242.66
InChI:InChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
InChIKey: URXVLIVRJJNJII-UHFFFAOYSA-N
Smiles:C(O)(=O)CC(C1=CC=C(Cl)C=C1)CC(O)=O
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Mass
MS-IW-0420
3-(p-chlorophenyl)glutaric acid
C11H11ClO4 (Mass of molecular ion: 242)
Source Temperature: 180 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 4.2
27.0 1.4
28.0 1.5
39.0 3.2
41.0 2.0
43.0 5.8
44.0 1.9
45.0 2.8
50.0 2.5
51.0 5.4
55.0 1.1
56.0 1.0
57.0 1.3
57.5 1.1
58.0 1.2
63.0 2.3
65.0 1.4
74.0 1.5
75.0 5.9
76.0 1.9
77.0 19.7
78.0 2.4
82.0 2.5
85.0 1.1
89.0 2.5
91.0 4.7
99.0 1.0
101.0 5.4
102.0 6.8
103.0 22.3
104.0 3.3
105.0 1.8
111.0 1.4
112.0 4.7
113.0 7.2
114.0 2.3
115.0 9.2
116.0 4.1
117.0 2.2
125.0 4.3
126.0 5.7
127.0 2.1
128.0 2.2
133.0 16.4
134.0 1.9
137.0 5.3
138.0 24.4
139.0 8.4
140.0 8.7
141.0 42.5
142.0 3.4
143.0 13.5
144.0 1.4
151.0 1.7
165.0 5.0
167.0 2.5
168.0 45.0
169.0 4.9
170.0 15.0
171.0 1.7
181.0 1.3
182.0 1.7
183.0 3.3
185.0 1.0
196.0 100.0
197.0 11.2
198.0 33.4
199.0 3.7
224.0 23.6
225.0 4.0
226.0 8.1
227.0 1.3
242.0 13.0
243.0 1.8
244.0 4.5