CID 3770185

884504-18-1

Structural Information

Molecular Formula

C₁₃H₁₂FN

SMILES

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

InChI

InChI=1S/C13H12FN/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-8H,9,15H2

InChIKey

MLXCERLVQPYBIA-UHFFFAOYSA-N

Compound name

[2-(4-fluorophenyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 201.09538 Da
Monoisotopic Mass: 2.5
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]+	202.10266	142.0
[M+Na]+	224.08460	150.3
[M-H]-	200.08810	147.3
[M+NH4]+	219.12920	160.8
[M+K]+	240.05854	145.7
[M+H-H2O]+	184.09264	134.2
[M+HCOO]-	246.09358	166.2
[M+CH3COO]-	260.10923	188.1
[M+Na-2H]-	222.07005	148.0
[M]+	201.09483	138.8
[M]-	201.09593	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe