CID 207815

Quinoline, 1,2-dihydro-1-(p-chlorobenzoyl)-

Structural Information

Molecular Formula

C₁₆H₁₂ClNO

SMILES

C1C=CC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClNO/c17-14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-10H,11H2

InChIKey

GPVHXPLPRPJTMZ-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(2H-quinolin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.06073 Da
Monoisotopic Mass: 3.9
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]+	270.068006	158.6
[M+Na]+	292.049948	167.4
[M-H]-	268.053454	164.5
[M+NH4]+	287.094553	175.3
[M+K]+	308.023888	161.1
[M+H-H2O]+	252.057990	150.6
[M+HCOO]-	314.058931	174.1
[M+CH3COO]-	328.074581	170.5
[M+Na-2H]-	290.035396	164.6
[M]+	269.06018142	159.1
[M]-	269.06127858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe