3,4-Dichlorocinnamic acid(1202-39-7) IR1
Molecular FormulaC9H6Cl2O2
Molecular Weight217.05
InChIInChI=1S/C9H6Cl2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)
InChIKey RRLUFPHCTSFKNR-UHFFFAOYSA-N
SmilesC(O)(=O)C=CC1=CC=C(Cl)C(Cl)=C1
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Mass
MS-NW-6824
3,4-dichlorocinnamic acid
C9H6Cl2O2 (Mass of molecular ion: 216)
Source Temperature: 160 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 2.8
27.0 1.1
28.0 1.4
36.0 1.4
37.0 1.6
38.0 1.2
39.0 1.7
44.0 1.3
45.0 3.6
49.0 2.8
49.5 2.3
50.0 10.9
51.0 6.4
52.0 1.0
55.0 1.0
61.0 2.7
62.0 4.7
63.0 4.6
67.0 1.3
67.5 1.5
68.0 11.6
68.5 1.5
69.0 5.3
71.0 1.2
72.0 1.0
73.0 3.3
74.0 11.6
75.0 12.8
76.0 3.0
84.0 2.9
85.0 4.4
85.5 1.3
86.0 3.0
87.0 1.7
89.0 4.2
90.0 5.3
90.5 1.8
91.0 1.8
97.0 1.9
98.0 3.8
99.0 12.9
99.5 2.0
100.0 4.2
100.5 1.3
101.0 7.4
102.0 3.9
108.0 1.8
109.0 7.0
110.0 2.3
111.0 3.7
118.0 1.5
123.0 1.3
125.0 10.1
126.0 1.0
127.0 3.3
134.0 1.1
135.0 13.5
136.0 24.3
137.0 8.8
138.0 8.0
139.0 1.7
145.0 1.5
146.0 1.8
147.0 1.8
148.0 1.1
152.0 1.0
153.0 5.7
155.0 2.1
159.0 4.6
161.0 2.7
162.0 1.0
163.0 1.0
170.0 14.5
171.0 17.3
172.0 11.8
173.0 12.1
174.0 4.5
175.0 4.3
177.0 1.4
181.0 21.9
182.0 2.8
183.0 7.7
184.0 1.0
188.0 3.8
190.0 3.0
198.0 5.8
199.0 25.5
200.0 6.0
201.0 16.2
202.0 2.6
203.0 2.9
215.0 35.4
216.0 100.0
217.0 32.1
218.0 65.3
219.0 10.8
220.0 11.1
221.0 1.2