CID 5251046

7-chloro-8-methylquinolin-2(1h)-one

Structural Information

Molecular Formula

C₁₀H₈ClNO

SMILES

CC1=C(C=CC2=C1NC(=O)C=C2)Cl

InChI

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

InChIKey

DCEZIJRNCUFBBA-UHFFFAOYSA-N

Compound name

7-chloro-8-methyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.02943 Da
Monoisotopic Mass: 2.3
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]+	194.03671	135.6
[M+Na]+	216.01865	152.3
[M+NH4]+	211.06325	145.4
[M+K]+	231.99259	144.1
[M-H]-	192.02215	138.4
[M+Na-2H]-	214.00410	143.7
[M]+	193.02888	139.2
[M]-	193.02998	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe