4-[[(4-fluorophenyl)methylamino]methyl]benzonitrile

4-[[(4-fluorophenyl)methylamino]methyl]benzonitrile bmse011653 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C15H13FN2

Natural Isotopic Abundance Mass: 240.2755231999998

Mono-Isotopic Molecular Masses:

  • C12N14: 240.106276646
  • C13N14: 255.15659921600007
  • C12N15: 242.100346432
  • C13N15: 257.15066900200014

InChI string: InChI=1S/C15H13FN2/c16-15-7-5-14(6-8-15)11-18-10-13-3-1-12(9-17)2-4-13/h1-8,18H,10-11H2

IUPAC: 4-[[(4-fluorophenyl)methylamino]methyl]benzonitrile

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)