CID 18327805

886371-78-4

Structural Information

Molecular Formula
C6H4FNO2
SMILES
C1=CN=C(C=C1F)C(=O)O
InChI
InChI=1S/C6H4FNO2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)
InChIKey
DOJINJNLDNIFBN-UHFFFAOYSA-N
Compound name
4-fluoropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

141.02261 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.02989 122.4
[M+Na]+ 164.01183 131.6
[M-H]- 140.01533 122.6
[M+NH4]+ 159.05643 142.0
[M+K]+ 179.98577 129.9
[M+H-H2O]+ 124.01987 115.8
[M+HCOO]- 186.02081 143.8
[M+CH3COO]- 200.03646 170.0
[M+Na-2H]- 161.99728 129.3
[M]+ 141.02206 120.6
[M]- 141.02316 120.6
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