CID 6510071

4(1h)-quinolinone, 1-acetyl-6-chloro-2,3-dihydro-, 4-oxime

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O₂

SMILES

CC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Cl

InChI

InChI=1S/C11H11ClN2O2/c1-7(15)14-5-4-10(13-16)9-6-8(12)2-3-11(9)14/h2-3,6,16H,4-5H2,1H3/b13-10-

InChIKey

NJNLNQPIKSHXQP-RAXLEYEMSA-N

Compound name

1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 238.0509 Da
Monoisotopic Mass: 1.6
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]+	239.058176	149.0
[M+Na]+	261.040118	158.0
[M-H]-	237.043624	152.2
[M+NH4]+	256.084723	167.4
[M+K]+	277.014058	153.7
[M+H-H2O]+	221.048160	143.1
[M+HCOO]-	283.049101	164.9
[M+CH3COO]-	297.064751	192.2
[M+Na-2H]-	259.025566	154.1
[M]+	238.05035142	149.3
[M]-	238.05144858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe