CID 72910

13432-32-1

Structural Information

Molecular Formula

C₁₄H₇Cl₂NO₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Cl)Cl)N

InChI

InChI=1S/C14H7Cl2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2

InChIKey

HVNFHSIIPHSECS-UHFFFAOYSA-N

Compound name

1-amino-2,4-dichloroanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 45
Patents: 290.98538 Da
Monoisotopic Mass: 4.0
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]+	291.99266	158.9
[M+Na]+	313.97460	172.2
[M-H]-	289.97810	164.2
[M+NH4]+	309.01920	178.3
[M+K]+	329.94854	164.9
[M+H-H2O]+	273.98264	154.5
[M+HCOO]-	335.98358	171.5
[M+CH3COO]-	349.99923	171.8
[M+Na-2H]-	311.96005	163.6
[M]+	290.98483	162.5
[M]-	290.98593	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe