CID 248668

6-fluorocinnolin-4-ol

Structural Information

Molecular Formula
C8H5FN2O
SMILES
C1=CC2=C(C=C1F)C(=O)C=NN2
InChI
InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)4-10-11-7/h1-4H,(H,11,12)
InChIKey
SPWDLJIYXFPDGC-UHFFFAOYSA-N
Compound name
6-fluoro-1H-cinnolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

164.03859 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04587 128.3
[M+Na]+ 187.02781 139.5
[M-H]- 163.03131 128.2
[M+NH4]+ 182.07241 147.0
[M+K]+ 203.00175 135.2
[M+H-H2O]+ 147.03585 120.7
[M+HCOO]- 209.03679 148.3
[M+CH3COO]- 223.05244 141.8
[M+Na-2H]- 185.01326 137.9
[M]+ 164.03804 126.3
[M]- 164.03914 126.3
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

patents stripe