CID 609884

75001-63-7

Structural Information

Molecular Formula

C₁₂H₁₁FN₂O₃

SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N)F)C(=O)O

InChI

InChI=1S/C12H11FN2O3/c1-2-15-5-7(12(17)18)11(16)6-3-8(13)9(14)4-10(6)15/h3-5H,2,14H2,1H3,(H,17,18)

InChIKey

VVWOYRFKKIVWJQ-UHFFFAOYSA-N

Compound name

7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 7
Patents: 250.07536 Da
Monoisotopic Mass: 1.1
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]+	251.08264	151.7
[M+Na]+	273.06458	162.7
[M-H]-	249.06808	153.0
[M+NH4]+	268.10918	168.2
[M+K]+	289.03852	158.5
[M+H-H2O]+	233.07262	144.3
[M+HCOO]-	295.07356	171.5
[M+CH3COO]-	309.08921	196.7
[M+Na-2H]-	271.05003	155.1
[M]+	250.07481	151.6
[M]-	250.07591	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe