CID 66510

1-chloro-4-hydroxyanthraquinone

Structural Information

Molecular Formula

C₁₄H₇ClO₃

SMILES

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

InChI

InChI=1S/C14H7ClO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H

InChIKey

TUZZWPYZPHNFJY-UHFFFAOYSA-N

Compound name

1-chloro-4-hydroxyanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 258.00836 Da
Monoisotopic Mass: 4.2
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]+	259.01564	149.8
[M+Na]+	280.99758	162.2
[M-H]-	257.00108	155.0
[M+NH4]+	276.04218	169.7
[M+K]+	296.97152	156.1
[M+H-H2O]+	241.00562	144.8
[M+HCOO]-	303.00656	165.8
[M+CH3COO]-	317.02221	163.4
[M+Na-2H]-	278.98303	156.5
[M]+	258.00781	152.9
[M]-	258.00891	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe