CID 3022169

3-quinolinecarbonyl chloride, 4-chloro-6-methyl-2-phenyl-

Structural Information

Molecular Formula

C₁₇H₁₁Cl₂NO

SMILES

CC1=CC2=C(C=C1)N=C(C(=C2Cl)C(=O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H11Cl2NO/c1-10-7-8-13-12(9-10)15(18)14(17(19)21)16(20-13)11-5-3-2-4-6-11/h2-9H,1H3

InChIKey

PSJQVYNQVBGOSN-UHFFFAOYSA-N

Compound name

4-chloro-6-methyl-2-phenylquinoline-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 315.02176 Da
Monoisotopic Mass: 5.4
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]+	316.029036	167.1
[M+Na]+	338.010978	178.6
[M-H]-	314.014484	173.0
[M+NH4]+	333.055583	183.0
[M+K]+	353.984918	171.0
[M+H-H2O]+	298.019020	159.8
[M+HCOO]-	360.019961	178.5
[M+CH3COO]-	374.035611	179.0
[M+Na-2H]-	335.996426	171.4
[M]+	315.02121142	171.7
[M]-	315.02230858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.