CID 154832132

2-oxo-1,2-dihydroquinoline-6-sulfonyl fluoride

Structural Information

Molecular Formula
C9H6FNO3S
SMILES
C1=CC2=C(C=CC(=O)N2)C=C1S(=O)(=O)F
InChI
InChI=1S/C9H6FNO3S/c10-15(13,14)7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
InChIKey
RITWPKGYNQHMOH-UHFFFAOYSA-N
Compound name
2-oxo-1H-quinoline-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00525 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01253 141.4
[M+Na]+ 249.99447 152.8
[M-H]- 225.99797 142.9
[M+NH4]+ 245.03907 159.3
[M+K]+ 265.96841 147.9
[M+H-H2O]+ 210.00251 134.9
[M+HCOO]- 272.00345 156.4
[M+CH3COO]- 286.01910 181.8
[M+Na-2H]- 247.97992 148.3
[M]+ 227.00470 142.5
[M]- 227.00580 142.5
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.