CID 105439171

Lithium(1+) ion 8-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

Structural Information

Molecular Formula
C7H4FN3O2
SMILES
C1=CN2C(=NN=C2C(=O)O)C(=C1)F
InChI
InChI=1S/C7H4FN3O2/c8-4-2-1-3-11-5(4)9-10-6(11)7(12)13/h1-3H,(H,12,13)
InChIKey
ZDJXNKXFFSYTSJ-UHFFFAOYSA-N
Compound name
8-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.02875 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03603 131.4
[M+Na]+ 204.01797 143.5
[M-H]- 180.02147 130.6
[M+NH4]+ 199.06257 149.8
[M+K]+ 219.99191 140.3
[M+H-H2O]+ 164.02601 123.4
[M+HCOO]- 226.02695 151.8
[M+CH3COO]- 240.04260 177.2
[M+Na-2H]- 202.00342 138.5
[M]+ 181.02820 132.5
[M]- 181.02930 132.5
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.