CID 83865393

3-(trifluoromethyl)-5h,6h,7h,8h-imidazo[1,5-a]pyridine-1-carboxylic acid

Structural Information

Molecular Formula
C9H9F3N2O2
SMILES
C1CCN2C(=C(N=C2C(F)(F)F)C(=O)O)C1
InChI
InChI=1S/C9H9F3N2O2/c10-9(11,12)8-13-6(7(15)16)5-3-1-2-4-14(5)8/h1-4H2,(H,15,16)
InChIKey
DKSTYAFVMSNUFP-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.068886 146.8
[M+Na]+ 257.050828 155.4
[M-H]- 233.054334 143.5
[M+NH4]+ 252.095433 164.1
[M+K]+ 273.024768 152.2
[M+H-H2O]+ 217.058870 138.1
[M+HCOO]- 279.059811 159.7
[M+CH3COO]- 293.075461 186.5
[M+Na-2H]- 255.036276 149.6
[M]+ 234.06106142 140.8
[M]- 234.06215858 140.8
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.