CID 59356412

3-(3,5-difluorophenyl)-1h-pyrazol-5-ol

Structural Information

Molecular Formula
C9H6F2N2O
SMILES
C1C(=NNC1=O)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C9H6F2N2O/c10-6-1-5(2-7(11)3-6)8-4-9(14)13-12-8/h1-3H,4H2,(H,13,14)
InChIKey
MJMMTYIVPJEDIV-UHFFFAOYSA-N
Compound name
3-(3,5-difluorophenyl)-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.04482 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.052096 136.2
[M+Na]+ 219.034038 146.7
[M-H]- 195.037544 137.1
[M+NH4]+ 214.078643 154.2
[M+K]+ 235.007978 142.2
[M+H-H2O]+ 179.042080 127.3
[M+HCOO]- 241.043021 155.8
[M+CH3COO]- 255.058671 180.0
[M+Na-2H]- 217.019486 139.6
[M]+ 196.04427142 131.8
[M]- 196.04536858 131.8
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