CID 121230968

2260937-10-6

Structural Information

Molecular Formula
C6H5FN2O2
SMILES
C1=C(C(=CN=C1C(=O)O)F)N
InChI
InChI=1S/C6H5FN2O2/c7-3-2-9-5(6(10)11)1-4(3)8/h1-2H,(H2,8,9)(H,10,11)
InChIKey
KURRXXFKJGCBOT-UHFFFAOYSA-N
Compound name
4-amino-5-fluoropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

156.03351 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04079 127.1
[M+Na]+ 179.02273 136.4
[M-H]- 155.02623 127.1
[M+NH4]+ 174.06733 145.8
[M+K]+ 194.99667 134.2
[M+H-H2O]+ 139.03077 120.3
[M+HCOO]- 201.03171 148.9
[M+CH3COO]- 215.04736 175.5
[M+Na-2H]- 177.00818 132.5
[M]+ 156.03296 124.0
[M]- 156.03406 124.0
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