CID 89422851

1426806-67-8

Structural Information

Molecular Formula

C₁₁H₉ClN₂

SMILES

C1=CN=CC=C1C2=CC(=CC(=C2)Cl)N

InChI

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

InChIKey

LVFYDYXJRKSQNN-UHFFFAOYSA-N

Compound name

3-chloro-5-pyridin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.04543 Da
Monoisotopic Mass: 2.4
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	141.5
[M+Na]+	227.03465	151.4
[M-H]-	203.03815	146.7
[M+NH4]+	222.07925	159.7
[M+K]+	243.00859	145.7
[M+H-H2O]+	187.04269	134.6
[M+HCOO]-	249.04363	161.4
[M+CH3COO]-	263.05928	154.9
[M+Na-2H]-	225.02010	148.7
[M]+	204.04488	141.3
[M]-	204.04598	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe