CID 89875686

1242317-92-5

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

20
Patents

178.05424 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.061516 132.4
[M+Na]+ 201.043458 142.9
[M-H]- 177.046964 134.7
[M+NH4]+ 196.088063 151.1
[M+K]+ 217.017398 138.7
[M+H-H2O]+ 161.051500 124.2
[M+HCOO]- 223.052441 154.5
[M+CH3COO]- 237.068091 146.0
[M+Na-2H]- 199.028906 138.1
[M]+ 178.05369142 130.1
[M]- 178.05478858 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