CID 45792477

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

Structural Information

Molecular Formula
C8H4F3N3O2
SMILES
C1=CN2C(=NN=C2C(=O)O)C(=C1)C(F)(F)F
InChI
InChI=1S/C8H4F3N3O2/c9-8(10,11)4-2-1-3-14-5(4)12-13-6(14)7(15)16/h1-3H,(H,15,16)
InChIKey
NAACNNGKHMVFKU-UHFFFAOYSA-N
Compound name
8-(trifluoromethyl)-[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

231.02556 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03284 142.4
[M+Na]+ 254.01478 154.5
[M-H]- 230.01828 139.1
[M+NH4]+ 249.05938 158.7
[M+K]+ 269.98872 150.7
[M+H-H2O]+ 214.02282 133.0
[M+HCOO]- 276.02376 158.7
[M+CH3COO]- 290.03941 185.4
[M+Na-2H]- 252.00023 148.6
[M]+ 231.02501 141.0
[M]- 231.02611 141.0
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

No patent data available for this compound.