CID 61263646

5-amino-1-(2-fluorophenyl)-1h-pyrazol-3-ol

Structural Information

Molecular Formula
C9H8FN3O
SMILES
C1=CC=C(C(=C1)N2C(=CC(=O)N2)N)F
InChI
InChI=1S/C9H8FN3O/c10-6-3-1-2-4-7(6)13-8(11)5-9(14)12-13/h1-5H,11H2,(H,12,14)
InChIKey
TYYKIZIVKRVVOC-UHFFFAOYSA-N
Compound name
3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.06514 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07242 138.7
[M+Na]+ 216.05436 150.6
[M+NH4]+ 211.09896 145.4
[M+K]+ 232.02830 146.9
[M-H]- 192.05786 139.6
[M+Na-2H]- 214.03981 145.3
[M]+ 193.06459 140.3
[M]- 193.06569 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.