CID 68254033

5-cyano-3-fluoropicolinic acid

Structural Information

Molecular Formula
C7H3FN2O2
SMILES
C1=C(C=NC(=C1F)C(=O)O)C#N
InChI
InChI=1S/C7H3FN2O2/c8-5-1-4(2-9)3-10-6(5)7(11)12/h1,3H,(H,11,12)
InChIKey
XFSFTCXJXGULGN-UHFFFAOYSA-N
Compound name
5-cyano-3-fluoropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

166.01785 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02513 133.0
[M+Na]+ 189.00707 144.5
[M+NH4]+ 184.05167 136.2
[M+K]+ 204.98101 136.5
[M-H]- 165.01057 124.7
[M+Na-2H]- 186.99252 135.8
[M]+ 166.01730 131.2
[M]- 166.01840 131.2
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