CID 31629

23045-20-7

Structural Information

Molecular Formula

C₁₃H₉ClN₂

SMILES

C1=CC2=NC3=C(C=C(C=C3)Cl)C=C2C=C1N

InChI

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

InChIKey

ZXXJLAKNTDVKRB-UHFFFAOYSA-N

Compound name

7-chloroacridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.04543 Da
Monoisotopic Mass: 3.2
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	145.7
[M+Na]+	251.03465	158.1
[M-H]-	227.03815	150.1
[M+NH4]+	246.07925	165.5
[M+K]+	267.00859	151.2
[M+H-H2O]+	211.04269	139.2
[M+HCOO]-	273.04363	164.5
[M+CH3COO]-	287.05928	159.4
[M+Na-2H]-	249.02010	156.0
[M]+	228.04488	148.2
[M]-	228.04598	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe