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]+ 230.05358 142.1
[M+Na]+ 252.03552 154.6
[M-H]- 228.03902 142.3
[M+NH4]+ 247.08012 158.8
[M+K]+ 268.00946 148.9
[M+H-H2O]+ 212.04356 132.4
[M+HCOO]- 274.04450 162.4
[M+CH3COO]- 288.06015 189.4
[M+Na-2H]- 250.02097 143.9
[M]+ 229.04575 137.2
[M]- 229.04685 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.