CID 599544

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

Structural Information

Molecular Formula

C₁₆H₁₃Cl₂NO

SMILES

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

InChI

InChI=1S/C16H13Cl2NO/c17-12-7-8-13(14(18)10-12)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2

InChIKey

ZJHFAQJNPFTPQQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 305.0374 Da
Monoisotopic Mass: 4.6
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]+	306.044676	165.6
[M+Na]+	328.026618	174.6
[M-H]-	304.030124	170.5
[M+NH4]+	323.071223	181.4
[M+K]+	344.000558	167.5
[M+H-H2O]+	288.034660	158.3
[M+HCOO]-	350.035601	174.5
[M+CH3COO]-	364.051251	176.4
[M+Na-2H]-	326.012066	169.0
[M]+	305.03685142	166.4
[M]-	305.03794858	166.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.