CID 14692920

2-fluoro-5-methyldiphenylamine

Structural Information

Molecular Formula

C₁₃H₁₂FN

SMILES

CC1=CC(=C(C=C1)F)NC2=CC=CC=C2

InChI

InChI=1S/C13H12FN/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-9,15H,1H3

InChIKey

FSRYWFORMDRXIX-UHFFFAOYSA-N

Compound name

2-fluoro-5-methyl-N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 201.09538 Da
Monoisotopic Mass: 3.9
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	141.4
[M+Na]+	224.08460	149.6
[M-H]-	200.08810	147.2
[M+NH4]+	219.12920	160.4
[M+K]+	240.05854	145.4
[M+H-H2O]+	184.09264	133.5
[M+HCOO]-	246.09358	166.1
[M+CH3COO]-	260.10923	188.8
[M+Na-2H]-	222.07005	148.4
[M]+	201.09483	139.1
[M]-	201.09593	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe