CID 17039788

182052-67-1

Structural Information

Molecular Formula

C₁₂H₁₁Cl₂N

SMILES

CC1=CC2=CC(=C(N=C2C=C1C)Cl)CCl

InChI

InChI=1S/C12H11Cl2N/c1-7-3-9-5-10(6-13)12(14)15-11(9)4-8(7)2/h3-5H,6H2,1-2H3

InChIKey

CCUOWAKNYKHISD-UHFFFAOYSA-N

Compound name

2-chloro-3-(chloromethyl)-6,7-dimethylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.02686 Da
Monoisotopic Mass: 4.3
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]+	240.034136	147.6
[M+Na]+	262.016078	160.0
[M-H]-	238.019584	150.6
[M+NH4]+	257.060683	167.3
[M+K]+	277.990018	153.5
[M+H-H2O]+	222.024120	142.5
[M+HCOO]-	284.025061	159.9
[M+CH3COO]-	298.040711	160.9
[M+Na-2H]-	260.001526	153.3
[M]+	239.02631142	152.4
[M]-	239.02740858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.