CID 178200034

5-(trifluoromethyl)-4h,5h,6h,7h-pyrazolo[1,5-a]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H9F3N2O2
SMILES
C1CN2C(=C(C=N2)C(=O)O)CC1C(F)(F)F
InChI
InChI=1S/C9H9F3N2O2/c10-9(11,12)5-1-2-14-7(3-5)6(4-13-14)8(15)16/h4-5H,1-3H2,(H,15,16)
InChIKey
KWYOHPARTXWPBJ-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-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]+ 235.06889 146.8
[M+Na]+ 257.05083 155.4
[M-H]- 233.05433 143.5
[M+NH4]+ 252.09543 164.1
[M+K]+ 273.02477 152.2
[M+H-H2O]+ 217.05887 138.1
[M+HCOO]- 279.05981 159.7
[M+CH3COO]- 293.07546 186.5
[M+Na-2H]- 255.03628 149.6
[M]+ 234.06106 140.8
[M]- 234.06216 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.