CID 6771

3-x-2-aa [russian]

Structural Information

Molecular Formula

C₁₄H₈ClNO₂

SMILES

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

InChI

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

InChIKey

XEONODGQEFLDTL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 53
Patents: 257.02435 Da
Monoisotopic Mass: 3.4
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]+	258.03163	152.1
[M+Na]+	280.01357	164.2
[M-H]-	256.01707	157.9
[M+NH4]+	275.05817	172.2
[M+K]+	295.98751	157.8
[M+H-H2O]+	240.02161	146.7
[M+HCOO]-	302.02255	169.8
[M+CH3COO]-	316.03820	165.6
[M+Na-2H]-	277.99902	158.4
[M]+	257.02380	153.9
[M]-	257.02490	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe