CID 178343928

4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C8H4F3N3O2
SMILES
C1=C(C2=C(NN=C2)N=C1C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H4F3N3O2/c9-8(10,11)4-1-5(7(15)16)13-6-3(4)2-12-14-6/h1-2H,(H,15,16)(H,12,13,14)
InChIKey
LJMPGNPVWFOEHG-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.02556 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.032836 142.8
[M+Na]+ 254.014778 154.5
[M-H]- 230.018284 138.2
[M+NH4]+ 249.059383 158.5
[M+K]+ 269.988718 149.8
[M+H-H2O]+ 214.022820 133.8
[M+HCOO]- 276.023761 157.6
[M+CH3COO]- 290.039411 182.9
[M+Na-2H]- 252.000226 148.6
[M]+ 231.02501142 139.6
[M]- 231.02610858 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.