CID 720112

1-(4-chlorobenzoyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula

C₁₆H₁₄ClNO

SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClNO/c17-14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2

InChIKey

STOCUTDIKCJDJU-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 271.0764 Da
Monoisotopic Mass: 4.0
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]+	272.083676	159.9
[M+Na]+	294.065618	167.7
[M-H]-	270.069124	165.4
[M+NH4]+	289.110223	176.4
[M+K]+	310.039558	161.5
[M+H-H2O]+	254.073660	151.9
[M+HCOO]-	316.074601	174.0
[M+CH3COO]-	330.090251	171.2
[M+Na-2H]-	292.051066	164.9
[M]+	271.07585142	159.0
[M]-	271.07694858	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.