CID 53419685

219949-90-3

Structural Information

Molecular Formula

C₁₁H₇ClFNO₂

SMILES

COC(=O)C1=NC2=C(C=CC=C2F)C(=C1)Cl

InChI

InChI=1S/C11H7ClFNO2/c1-16-11(15)9-5-7(12)6-3-2-4-8(13)10(6)14-9/h2-5H,1H3

InChIKey

IQOPIADCDCRFNV-UHFFFAOYSA-N

Compound name

methyl 4-chloro-8-fluoroquinoline-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 239.01494 Da
Monoisotopic Mass: 3.1
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]+	240.02222	145.5
[M+Na]+	262.00416	160.4
[M+NH4]+	257.04876	153.8
[M+K]+	277.97810	153.2
[M-H]-	238.00766	146.3
[M+Na-2H]-	259.98961	152.1
[M]+	239.01439	148.1
[M]-	239.01549	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe