CID 22285330

425378-77-4

Structural Information

Molecular Formula

C₁₁H₉FN₂

SMILES

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

InChI

InChI=1S/C11H9FN2/c12-11-4-3-9(13)6-10(11)8-2-1-5-14-7-8/h1-7H,13H2

InChIKey

RTBGBGREMLPTRD-UHFFFAOYSA-N

Compound name

4-fluoro-3-pyridin-3-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 188.07498 Da
Monoisotopic Mass: 1.9
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]+	189.08226	138.7
[M+Na]+	211.06420	153.2
[M+NH4]+	206.10880	147.6
[M+K]+	227.03814	145.5
[M-H]-	187.06770	142.7
[M+Na-2H]-	209.04965	148.8
[M]+	188.07443	141.9
[M]-	188.07553	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe