3-Bromothiophene-2-carboxylic acid(7311-64-0) IR2
Molecular FormulaC5H3BrO2S
Molecular Weight207.05
InChIInChI=1S/C5H3BrO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKey VQQLWBUTTMNMFT-UHFFFAOYSA-N
SmilesC1(C(O)=O)SC=CC=1Br
-
Mass
MS2003-01959WA
3-bromo-2-thenoic acid
C5H3BrO2S (Mass of molecular ion: 206)
Source Temperature: 245 °C
Sample Temperature: 20 °C
Direct, 70 eV
18.0 1.7
37.0 5.9
38.0 6.8
39.0 9.0
41.0 2.1
44.0 1.4
45.0 16.6
49.0 3.4
50.0 2.3
53.0 1.5
55.0 3.2
56.0 1.5
57.0 3.7
58.0 1.3
69.0 2.8
70.0 1.5
71.0 1.4
77.0 1.9
79.0 1.1
80.0 1.7
81.0 13.5
82.0 28.2
83.0 7.6
84.0 2.0
98.0 2.5
109.0 1.2
117.0 4.7
119.0 4.6
135.0 2.9
137.0 3.0
161.0 3.7
162.0 1.5
163.0 3.8
164.0 1.3
178.0 1.8
180.0 1.9
189.0 86.3
190.0 5.3
191.0 88.4
192.0 5.5
193.0 4.0
206.0 97.6
207.0 6.1
208.0 100.0
209.0 6.2
210.0 4.7