CID 69238312

5-trifluoromethyl-pyrazolo[1,5-a]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H5F3N2O2
SMILES
C1=CN2C(=CC(=N2)C(=O)O)C=C1C(F)(F)F
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-2-14-6(3-5)4-7(13-14)8(15)16/h1-4H,(H,15,16)
InChIKey
MQOFNRWEIYQKPP-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

230.03032 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03760 142.2
[M+Na]+ 253.01954 153.9
[M-H]- 229.02304 140.1
[M+NH4]+ 248.06414 160.0
[M+K]+ 268.99348 150.1
[M+H-H2O]+ 213.02758 133.5
[M+HCOO]- 275.02852 159.6
[M+CH3COO]- 289.04417 185.5
[M+Na-2H]- 251.00499 148.0
[M]+ 230.02977 140.6
[M]- 230.03087 140.6
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

patents stripe