CID 344301

84-46-8

Structural Information

Molecular Formula

C₁₄H₈ClNO₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)N

InChI

InChI=1S/C14H8ClNO2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2

InChIKey

VMOJFUJVEWWUAV-UHFFFAOYSA-N

Compound name

2-amino-3-chloroanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 257.02435 Da
Monoisotopic Mass: 2.8
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]+	258.03163	151.1
[M+Na]+	280.01357	167.5
[M+NH4]+	275.05817	161.1
[M+K]+	295.98751	158.9
[M-H]-	256.01707	155.6
[M+Na-2H]-	277.99902	158.0
[M]+	257.02380	155.1
[M]-	257.02490	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe