CID 17039599

5-chloro-8-methylquinolin-4-ol

Structural Information

Molecular Formula

C₁₀H₈ClNO

SMILES

CC1=C2C(=C(C=C1)Cl)C(=O)C=CN2

InChI

InChI=1S/C10H8ClNO/c1-6-2-3-7(11)9-8(13)4-5-12-10(6)9/h2-5H,1H3,(H,12,13)

InChIKey

HUJSYRCRGDUOLO-UHFFFAOYSA-N

Compound name

5-chloro-8-methyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 193.02943 Da
Monoisotopic Mass: 2.6
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]+	194.036706	135.3
[M+Na]+	216.018648	147.3
[M-H]-	192.022154	138.0
[M+NH4]+	211.063253	155.5
[M+K]+	231.992588	141.4
[M+H-H2O]+	176.026690	130.2
[M+HCOO]-	238.027631	152.5
[M+CH3COO]-	252.043281	149.3
[M+Na-2H]-	214.004096	143.3
[M]+	193.02888142	137.0
[M]-	193.02997858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe