CID 89875686

1-(2-fluorophenyl)-2,3-dihydro-1h-pyrazol-3-one

Structural Information

Molecular Formula
C9H7FN2O
SMILES
C1=CC=C(C(=C1)N2C=CC(=O)N2)F
InChI
InChI=1S/C9H7FN2O/c10-7-3-1-2-4-8(7)12-6-5-9(13)11-12/h1-6H,(H,11,13)
InChIKey
JNVZAUFYNZIBDP-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

178.05424 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06152 132.4
[M+Na]+ 201.04346 142.9
[M-H]- 177.04696 134.7
[M+NH4]+ 196.08806 151.1
[M+K]+ 217.01740 138.7
[M+H-H2O]+ 161.05150 124.2
[M+HCOO]- 223.05244 154.5
[M+CH3COO]- 237.06809 146.0
[M+Na-2H]- 199.02891 138.1
[M]+ 178.05369 130.1
[M]- 178.05479 130.1
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

patents stripe