CID 62388626

3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C8H5F2N3O2
SMILES
C1=CC2=NN=C(N2C=C1C(=O)O)C(F)F
InChI
InChI=1S/C8H5F2N3O2/c9-6(10)7-12-11-5-2-1-4(8(14)15)3-13(5)7/h1-3,6H,(H,14,15)
InChIKey
CMRYYTDJRPPXJO-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

213.03499 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04227 140.8
[M+Na]+ 236.02421 151.2
[M+NH4]+ 231.06881 145.8
[M+K]+ 251.99815 149.3
[M-H]- 212.02771 136.8
[M+Na-2H]- 234.00966 144.3
[M]+ 213.03444 140.7
[M]- 213.03554 140.7
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