CID 66484

1,4,5,8-tetrachloroanthraquinone

Structural Information

Molecular Formula

C₁₄H₄Cl₄O₂

SMILES

C1=CC(=C2C(=C1Cl)C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl)Cl

InChI

InChI=1S/C14H4Cl4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H

InChIKey

DUJPMUKIEFLXRE-UHFFFAOYSA-N

Compound name

1,4,5,8-tetrachloroanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 196
Patents: 343.89655 Da
Monoisotopic Mass: 5.4
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]+	344.90383	167.2
[M+Na]+	366.88577	185.5
[M+NH4]+	361.93037	176.9
[M+K]+	382.85971	175.2
[M-H]-	342.88927	170.3
[M+Na-2H]-	364.87122	173.3
[M]+	343.89600	172.1
[M]-	343.89710	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe