CID 56605040

7-(4-chlorobutoxy)quinolin-2(1h)-one

Structural Information

Molecular Formula

C₁₃H₁₄ClNO₂

SMILES

C1=CC(=CC2=C1C=CC(=O)N2)OCCCCCl

InChI

InChI=1S/C13H14ClNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3-6,9H,1-2,7-8H2,(H,15,16)

InChIKey

DPQAKBJISUNJNK-UHFFFAOYSA-N

Compound name

7-(4-chlorobutoxy)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 251.0713 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]+	252.07858	152.8
[M+Na]+	274.06052	168.0
[M+NH4]+	269.10512	161.4
[M+K]+	290.03446	159.3
[M-H]-	250.06402	154.8
[M+Na-2H]-	272.04597	159.7
[M]+	251.07075	155.9
[M]-	251.07185	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe