CID 90191891

5-fluoro-6-hydroxynicotinaldehyde

Structural Information

Molecular Formula
C6H4FNO2
SMILES
C1=C(C(=O)NC=C1C=O)F
InChI
InChI=1S/C6H4FNO2/c7-5-1-4(3-9)2-8-6(5)10/h1-3H,(H,8,10)
InChIKey
QXRRKGZUUFAEMS-UHFFFAOYSA-N
Compound name
5-fluoro-6-oxo-1H-pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

141.02261 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.02989 124.6
[M+Na]+ 164.01183 137.2
[M+NH4]+ 159.05643 131.5
[M+K]+ 179.98577 131.6
[M-H]- 140.01533 123.7
[M+Na-2H]- 161.99728 130.6
[M]+ 141.02206 125.8
[M]- 141.02316 125.8
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