CID 131270

Flosequinoxan

Structural Information

Molecular Formula
C11H10FNO3S
SMILES
CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)(=O)C
InChI
InChI=1S/C11H10FNO3S/c1-13-6-10(17(2,15)16)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
InChIKey
ZUMVHPMHCIKNFT-UHFFFAOYSA-N
Compound name
7-fluoro-1-methyl-3-methylsulfonylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

60
Patents

255.03654 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04382 149.3
[M+Na]+ 278.02576 161.9
[M-H]- 254.02926 152.6
[M+NH4]+ 273.07036 167.4
[M+K]+ 293.99970 157.6
[M+H-H2O]+ 238.03380 142.6
[M+HCOO]- 300.03474 165.1
[M+CH3COO]- 314.05039 192.8
[M+Na-2H]- 276.01121 154.3
[M]+ 255.03599 153.7
[M]- 255.03709 153.7
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.