4-(Chloromethyl)benzoic acid(1642-81-5) IR1
Molecular FormulaC8H7ClO2
Molecular Weight170.59
InChIInChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey OITNBJHJJGMFBN-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(CCl)C=C1
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![](https://www.chemicalbook.com/Spectrum/1642-81-5_MS.gif)
Mass
MS-IW-2133
p-(chloromethyl)benzoic acid
C8H7ClO2 (Mass of molecular ion: 170)
Source Temperature: 130 °C
Sample Temperature: 100 °C
Direct, 75 eV
18.0 2.1
38.0 1.3
39.0 4.2
43.0 1.0
44.0 1.3
45.0 1.9
50.0 2.4
51.0 3.2
59.0 1.1
61.0 1.2
62.0 5.3
63.0 8.4
64.0 2.0
65.0 1.6
76.0 2.9
77.0 5.3
79.0 1.1
89.0 11.2
90.0 7.8
91.0 5.9
99.0 1.4
105.0 1.0
107.0 23.0
108.0 1.8
118.0 2.2
125.0 14.1
126.0 1.4
127.0 4.6
135.0 100.0
136.0 9.1
141.0 1.0
153.0 3.5
155.0 1.1
169.0 1.1
170.0 33.5
171.0 3.4
172.0 11.0
173.0 1.0