CID 31757

Acridine, 9-amino-4-chloro-

Structural Information

Molecular Formula

C₁₃H₉ClN₂

SMILES

C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)Cl)N

InChI

InChI=1S/C13H9ClN2/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7H,(H2,15,16)

InChIKey

NSXDSAVBBBKTAM-UHFFFAOYSA-N

Compound name

4-chloroacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 228.04543 Da
Monoisotopic Mass: 3.5
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]+	229.05271	145.5
[M+Na]+	251.03465	163.9
[M+NH4]+	246.07925	156.6
[M+K]+	267.00859	153.9
[M-H]-	227.03815	150.9
[M+Na-2H]-	249.02010	155.4
[M]+	228.04488	150.3
[M]-	228.04598	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe