CID 2774468

4-fluorodiphenylamine

Structural Information

Molecular Formula

C₁₂H₁₀FN

SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)F

InChI

InChI=1S/C12H10FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H

InChIKey

RBWCFTJQRDTIBX-UHFFFAOYSA-N

Compound name

4-fluoro-N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 363
Patents: 187.07973 Da
Monoisotopic Mass: 3.3
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]+	188.08701	136.7
[M+Na]+	210.06895	144.4
[M-H]-	186.07245	142.3
[M+NH4]+	205.11355	156.0
[M+K]+	226.04289	140.4
[M+H-H2O]+	170.07699	128.8
[M+HCOO]-	232.07793	161.8
[M+CH3COO]-	246.09358	184.7
[M+Na-2H]-	208.05440	145.1
[M]+	187.07918	133.7
[M]-	187.08028	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe