CID 40151925

879088-41-2

Structural Information

Molecular Formula

C₁₁H₉ClN₂

SMILES

C1=CC=NC(=C1)C2=C(C=CC(=C2)N)Cl

InChI

InChI=1S/C11H9ClN2/c12-10-5-4-8(13)7-9(10)11-3-1-2-6-14-11/h1-7H,13H2

InChIKey

QWVLHTCIAZPQAY-UHFFFAOYSA-N

Compound name

4-chloro-3-pyridin-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 204.04543 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]+	205.05271	141.6
[M+Na]+	227.03465	158.1
[M+NH4]+	222.07925	151.6
[M+K]+	243.00859	149.3
[M-H]-	203.03815	147.2
[M+Na-2H]-	225.02010	152.6
[M]+	204.04488	146.0
[M]-	204.04598	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe