CID 61263458

5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-1h-pyrazol-3-ol

Structural Information

Molecular Formula
C9H7F3N4O
SMILES
C1=CC(=NC=C1C(F)(F)F)N2C(=CC(=O)N2)N
InChI
InChI=1S/C9H7F3N4O/c10-9(11,12)5-1-2-7(14-4-5)16-6(13)3-8(17)15-16/h1-4H,13H2,(H,15,17)
InChIKey
SYIUYMZYWMFWBA-UHFFFAOYSA-N
Compound name
3-amino-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05719 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.064466 147.8
[M+Na]+ 267.046408 158.8
[M-H]- 243.049914 146.2
[M+NH4]+ 262.091013 162.1
[M+K]+ 283.020348 153.4
[M+H-H2O]+ 227.054450 137.4
[M+HCOO]- 289.055391 165.1
[M+CH3COO]- 303.071041 189.5
[M+Na-2H]- 265.031856 151.7
[M]+ 244.05664142 141.9
[M]- 244.05773858 141.9
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.