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]+ 186.01972 131.6
[M+Na]+ 208.00166 140.7
[M-H]- 184.00516 130.7
[M+NH4]+ 203.04626 148.7
[M+K]+ 223.97560 138.9
[M+H-H2O]+ 168.00970 125.0
[M+HCOO]- 230.01064 150.8
[M+CH3COO]- 244.02629 176.1
[M+Na-2H]- 205.98711 135.6
[M]+ 185.01189 130.3
[M]- 185.01299 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.