CID 122163674

5-fluoropyridine-2,4-dicarboxylic acid

Structural Information

Molecular Formula
C7H4FNO4
SMILES
C1=C(C(=CN=C1C(=O)O)F)C(=O)O
InChI
InChI=1S/C7H4FNO4/c8-4-2-9-5(7(12)13)1-3(4)6(10)11/h1-2H,(H,10,11)(H,12,13)
InChIKey
YMTWJDCPCBQOIJ-UHFFFAOYSA-N
Compound name
5-fluoropyridine-2,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

185.01244 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.019716 131.6
[M+Na]+ 208.001658 140.7
[M-H]- 184.005164 130.7
[M+NH4]+ 203.046263 148.7
[M+K]+ 223.975598 138.9
[M+H-H2O]+ 168.009700 125.0
[M+HCOO]- 230.010641 150.8
[M+CH3COO]- 244.026291 176.1
[M+Na-2H]- 205.987106 135.6
[M]+ 185.01189142 130.3
[M]- 185.01298858 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.