CID 2762655

Ddao

Structural Information

Molecular Formula

C₁₅H₁₁Cl₂NO₂

SMILES

CC1(C2=CC(=O)C=CC2=NC3=CC(=C(C(=C31)Cl)O)Cl)C

InChI

InChI=1S/C15H11Cl2NO2/c1-15(2)8-5-7(19)3-4-10(8)18-11-6-9(16)14(20)13(17)12(11)15/h3-6,20H,1-2H3

InChIKey

BRDJPCFGLMKJRU-UHFFFAOYSA-N

Compound name

6,8-dichloro-7-hydroxy-9,9-dimethylacridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 134
References: 3042
Patents: 307.0167 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]+	308.02398	162.1
[M+Na]+	330.00592	176.0
[M-H]-	306.00942	165.4
[M+NH4]+	325.05052	181.5
[M+K]+	345.97986	168.7
[M+H-H2O]+	290.01396	157.1
[M+HCOO]-	352.01490	171.0
[M+CH3COO]-	366.03055	174.5
[M+Na-2H]-	327.99137	167.7
[M]+	307.01615	167.1
[M]-	307.01725	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe