CID 663463

Ethyl 6-fluoro-2-methyl-3-quinolinecarboxylate

Structural Information

Molecular Formula

C₁₃H₁₂FNO₂

SMILES

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)F)C

InChI

InChI=1S/C13H12FNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3

InChIKey

KISFDCXMMHLADD-UHFFFAOYSA-N

Compound name

ethyl 6-fluoro-2-methylquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 233.0852 Da
Monoisotopic Mass: 2.9
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]+	234.09248	149.0
[M+Na]+	256.07442	159.0
[M-H]-	232.07792	151.5
[M+NH4]+	251.11902	167.2
[M+K]+	272.04836	155.7
[M+H-H2O]+	216.08246	141.1
[M+HCOO]-	278.08340	169.4
[M+CH3COO]-	292.09905	193.0
[M+Na-2H]-	254.05987	154.5
[M]+	233.08465	151.2
[M]-	233.08575	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe