CID 21928318

604774-05-2

Structural Information

Molecular Formula
C6H4FNO3
SMILES
C1=CC(=O)NC(=C1F)C(=O)O
InChI
InChI=1S/C6H4FNO3/c7-3-1-2-4(9)8-5(3)6(10)11/h1-2H,(H,8,9)(H,10,11)
InChIKey
QZYZLTZNQIKHRV-UHFFFAOYSA-N
Compound name
3-fluoro-6-oxo-1H-pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.01752 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02480 128.1
[M+Na]+ 180.00674 139.4
[M+NH4]+ 175.05134 134.0
[M+K]+ 195.98068 135.5
[M-H]- 156.01024 126.0
[M+Na-2H]- 177.99219 132.7
[M]+ 157.01697 128.7
[M]- 157.01807 128.7
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