CID 4256080

2-chloro-3-(2-chloroethyl)-7-methoxyquinoline

Structural Information

Molecular Formula

C₁₂H₁₁Cl₂NO

SMILES

COC1=CC2=NC(=C(C=C2C=C1)CCCl)Cl

InChI

InChI=1S/C12H11Cl2NO/c1-16-10-3-2-8-6-9(4-5-13)12(14)15-11(8)7-10/h2-3,6-7H,4-5H2,1H3

InChIKey

PTQQTMBBFHOZTL-UHFFFAOYSA-N

Compound name

2-chloro-3-(2-chloroethyl)-7-methoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 255.02177 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]+	256.029046	150.8
[M+Na]+	278.010988	162.2
[M-H]-	254.014494	153.4
[M+NH4]+	273.055593	169.4
[M+K]+	293.984928	156.1
[M+H-H2O]+	238.019030	145.2
[M+HCOO]-	300.019971	163.3
[M+CH3COO]-	314.035621	194.2
[M+Na-2H]-	275.996436	157.2
[M]+	255.02122142	156.6
[M]-	255.02231858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe