3-Fluoro-4-hydroxybenzoic acid(350-29-8) MS
Product Name3-Fluoro-4-hydroxybenzoic acid
CAS350-29-8
Molecular FormulaC7H5FO3
Molecular Weight156.11
InChIInChI=1S/C7H5FO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
InChIKey IUSDEKNMCOUBEE-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(O)C(F)=C1
-
MassMS-KW-0804 3-fluoro-4-hydroxybenzoic acid hydrate C7H5FO3 H2O (Mass of molecular ion: 156)
Source Temperature: 200 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.9 18.0 10.4 28.0 1.6 31.0 2.5 37.0 1.1 38.0 1.4 39.0 2.0 45.0 1.8 50.0 1.5 51.0 2.7 53.0 2.2 55.0 3.1 55.5 1.1 56.0 1.5 57.0 10.5 61.0 1.7 62.0 2.5 63.0 4.9 64.0 6.4 69.5 2.3 80.0 1.2 81.0 2.9 82.0 2.3 83.0 16.2 84.0 1.0 99.0 1.3 110.0 2.4 111.0 25.9 112.0 1.8 127.0 1.0 139.0 100.0 140.0 7.9 156.0 74.2 157.0 6.0
in DMSO-d6
in DMSO-d6
KBr disk
Nujol
