CID 82821798

1553145-77-9

Structural Information

Molecular Formula
C8H4F3N3O2
SMILES
C1=C(C=NC2=C1NC(=N2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H4F3N3O2/c9-8(10,11)7-13-4-1-3(6(15)16)2-12-5(4)14-7/h1-2H,(H,15,16)(H,12,13,14)
InChIKey
FNZMKAAIAKJKTQ-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.02556 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03284 145.1
[M+Na]+ 254.01478 153.6
[M+NH4]+ 249.05938 148.7
[M+K]+ 269.98872 152.5
[M-H]- 230.01828 138.9
[M+Na-2H]- 252.00023 147.5
[M]+ 231.02501 144.0
[M]- 231.02611 144.0
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.