CID 645683

4-fluoro-n-(pyridin-3-ylmethyl)aniline

Structural Information

Molecular Formula

C₁₂H₁₁FN₂

SMILES

C1=CC(=CN=C1)CNC2=CC=C(C=C2)F

InChI

InChI=1S/C12H11FN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2

InChIKey

ACUPPIKXBQWISN-UHFFFAOYSA-N

Compound name

4-fluoro-N-(pyridin-3-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 11
Patents: 202.09062 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.09790	143.2
[M+Na]+	225.07984	157.5
[M+NH4]+	220.12444	152.0
[M+K]+	241.05378	149.1
[M-H]-	201.08334	147.2
[M+Na-2H]-	223.06529	153.7
[M]+	202.09007	146.4
[M]-	202.09117	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe