CID 3017326

62265-67-2

Structural Information

Molecular Formula

C₁₁H₁₁Cl₂NO₂

SMILES

C1CC2=C(C=CC(=C2)O)N(C1)C(=O)C(Cl)Cl

InChI

InChI=1S/C11H11Cl2NO2/c12-10(13)11(16)14-5-1-2-7-6-8(15)3-4-9(7)14/h3-4,6,10,15H,1-2,5H2

InChIKey

OMZBOXOCCLZODD-UHFFFAOYSA-N

Compound name

2,2-dichloro-1-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 259.0167 Da
Monoisotopic Mass: 2.7
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]+	260.023976	150.2
[M+Na]+	282.005918	158.4
[M-H]-	258.009424	151.1
[M+NH4]+	277.050523	167.4
[M+K]+	297.979858	153.1
[M+H-H2O]+	242.013960	145.5
[M+HCOO]-	304.014901	157.4
[M+CH3COO]-	318.030551	190.5
[M+Na-2H]-	279.991366	153.4
[M]+	259.01615142	150.4
[M]-	259.01724858	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe