CID 86775395

6-fluoroquinoline-3-sulfonamide

Structural Information

Molecular Formula
C9H7FN2O2S
SMILES
C1=CC2=NC=C(C=C2C=C1F)S(=O)(=O)N
InChI
InChI=1S/C9H7FN2O2S/c10-7-1-2-9-6(3-7)4-8(5-12-9)15(11,13)14/h1-5H,(H2,11,13,14)
InChIKey
GFCXRCYWOUYTLO-UHFFFAOYSA-N
Compound name
6-fluoroquinoline-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.02122 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02850 142.5
[M+Na]+ 249.01044 153.4
[M-H]- 225.01394 144.8
[M+NH4]+ 244.05504 160.7
[M+K]+ 264.98438 148.9
[M+H-H2O]+ 209.01848 135.6
[M+HCOO]- 271.01942 159.0
[M+CH3COO]- 285.03507 187.3
[M+Na-2H]- 246.99589 149.3
[M]+ 226.02067 143.0
[M]- 226.02177 143.0
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.