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

1825
Patents

239.04163 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04891 144.7
[M+Na]+ 262.03085 156.6
[M-H]- 238.03435 147.8
[M+NH4]+ 257.07545 163.4
[M+K]+ 278.00479 152.3
[M+H-H2O]+ 222.03889 137.7
[M+HCOO]- 284.03983 160.6
[M+CH3COO]- 298.05548 191.9
[M+Na-2H]- 260.01630 147.7
[M]+ 239.04108 148.3
[M]- 239.04218 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.