CID 2782681

5728-66-5

Structural Information

Molecular Formula

C₁₂H₁₀FN

SMILES

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

InChI

InChI=1S/C12H10FN/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H,14H2

InChIKey

DOUHEBIOTFMLAJ-UHFFFAOYSA-N

Compound name

4-(3-fluorophenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 59
Patents: 187.07973 Da
Monoisotopic Mass: 3.0
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]+	188.087006	137.4
[M+Na]+	210.068948	146.1
[M-H]-	186.072454	142.9
[M+NH4]+	205.113553	156.7
[M+K]+	226.042888	141.7
[M+H-H2O]+	170.076990	129.8
[M+HCOO]-	232.077931	161.8
[M+CH3COO]-	246.093581	185.1
[M+Na-2H]-	208.054396	143.9
[M]+	187.07918142	133.8
[M]-	187.08027858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe