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

4
Annotation Hits: 140
References: 1688
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]+	240.04891	149.1
[M+Na]+	262.03085	163.0
[M+NH4]+	257.07545	157.1
[M+K]+	278.00479	154.6
[M-H]-	238.03435	149.9
[M+Na-2H]-	260.01630	154.4
[M]+	239.04108	151.8
[M]-	239.04218	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe