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)pyridin-2-yl]-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]+ 245.06447 147.8
[M+Na]+ 267.04641 158.8
[M-H]- 243.04991 146.2
[M+NH4]+ 262.09101 162.1
[M+K]+ 283.02035 153.4
[M+H-H2O]+ 227.05445 137.4
[M+HCOO]- 289.05539 165.1
[M+CH3COO]- 303.07104 189.5
[M+Na-2H]- 265.03186 151.7
[M]+ 244.05664 141.9
[M]- 244.05774 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.