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 142.8
[M+Na]+ 254.01478 154.5
[M-H]- 230.01828 138.2
[M+NH4]+ 249.05938 158.5
[M+K]+ 269.98872 149.8
[M+H-H2O]+ 214.02282 133.8
[M+HCOO]- 276.02376 157.6
[M+CH3COO]- 290.03941 182.9
[M+Na-2H]- 252.00023 148.6
[M]+ 231.02501 139.6
[M]- 231.02611 139.6
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.