CID 17039799

948291-38-1

Structural Information

Molecular Formula

C₁₀H₆Cl₂FN

SMILES

C1=CC(=CC2=NC(=C(C=C21)CCl)Cl)F

InChI

InChI=1S/C10H6Cl2FN/c11-5-7-3-6-1-2-8(13)4-9(6)14-10(7)12/h1-4H,5H2

InChIKey

FEEYLYBSAMIXIV-UHFFFAOYSA-N

Compound name

2-chloro-3-(chloromethyl)-7-fluoroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 228.98613 Da
Monoisotopic Mass: 3.6
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]+	229.99341	140.4
[M+Na]+	251.97535	152.8
[M-H]-	227.97885	142.0
[M+NH4]+	247.01995	160.1
[M+K]+	267.94929	146.2
[M+H-H2O]+	211.98339	134.4
[M+HCOO]-	273.98433	152.4
[M+CH3COO]-	287.99998	153.7
[M+Na-2H]-	249.96080	147.4
[M]+	228.98558	143.2
[M]-	228.98668	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe