CID 17039959

4-hydroxy-6,7-dichloroquinoline

Structural Information

Molecular Formula

C₉H₅Cl₂NO

SMILES

C1=CNC2=CC(=C(C=C2C1=O)Cl)Cl

InChI

InChI=1S/C9H5Cl2NO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h1-4H,(H,12,13)

InChIKey

OIBDGJOVXZXMSP-UHFFFAOYSA-N

Compound name

6,7-dichloro-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 212.97482 Da
Monoisotopic Mass: 1.8
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]+	213.98210	136.3
[M+Na]+	235.96404	148.9
[M-H]-	211.96754	138.2
[M+NH4]+	231.00864	156.0
[M+K]+	251.93798	142.1
[M+H-H2O]+	195.97208	131.9
[M+HCOO]-	257.97302	148.6
[M+CH3COO]-	271.98867	149.9
[M+Na-2H]-	233.94949	144.0
[M]+	212.97427	138.7
[M]-	212.97537	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe