CID 4474062

Flosequinan

Structural Information

Molecular Formula

C₁₁H₁₀FNO₂S

SMILES

CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)C

InChI

InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3

InChIKey

UYGONJYYUKVHDD-UHFFFAOYSA-N

Compound name

7-fluoro-1-methyl-3-methylsulfinylquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 140
References: 1831
Patents: 239.04163 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]+	240.048906	144.7
[M+Na]+	262.030848	156.6
[M-H]-	238.034354	147.8
[M+NH4]+	257.075453	163.4
[M+K]+	278.004788	152.3
[M+H-H2O]+	222.038890	137.7
[M+HCOO]-	284.039831	160.6
[M+CH3COO]-	298.055481	191.9
[M+Na-2H]-	260.016296	147.7
[M]+	239.04108142	148.3
[M]-	239.04217858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe