CID 64192870

5-amino-1-(2,4,5-trifluorophenyl)-1h-pyrazol-3-ol

Structural Information

Molecular Formula
C9H6F3N3O
SMILES
C1=C(C(=CC(=C1F)F)F)N2C(=CC(=O)N2)N
InChI
InChI=1S/C9H6F3N3O/c10-4-1-6(12)7(2-5(4)11)15-8(13)3-9(16)14-15/h1-3H,13H2,(H,14,16)
InChIKey
YWNHYUBGGFLOEM-UHFFFAOYSA-N
Compound name
3-amino-2-(2,4,5-trifluorophenyl)-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0463 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.053576 142.1
[M+Na]+ 252.035518 154.6
[M-H]- 228.039024 142.3
[M+NH4]+ 247.080123 158.8
[M+K]+ 268.009458 148.9
[M+H-H2O]+ 212.043560 132.4
[M+HCOO]- 274.044501 162.4
[M+CH3COO]- 288.060151 189.4
[M+Na-2H]- 250.020966 143.9
[M]+ 229.04575142 137.2
[M]- 229.04684858 137.2
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.