CID 90191891

1227605-77-7

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 120.8
[M+Na]+ 164.01183 131.5
[M-H]- 140.01533 121.3
[M+NH4]+ 159.05643 140.7
[M+K]+ 179.98577 128.7
[M+H-H2O]+ 124.01987 114.4
[M+HCOO]- 186.02081 143.3
[M+CH3COO]- 200.03646 169.5
[M+Na-2H]- 161.99728 128.2
[M]+ 141.02206 119.4
[M]- 141.02316 119.4
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