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]+ 197.05210 136.2
[M+Na]+ 219.03404 146.7
[M-H]- 195.03754 137.1
[M+NH4]+ 214.07864 154.2
[M+K]+ 235.00798 142.2
[M+H-H2O]+ 179.04208 127.3
[M+HCOO]- 241.04302 155.8
[M+CH3COO]- 255.05867 180.0
[M+Na-2H]- 217.01949 139.6
[M]+ 196.04427 131.8
[M]- 196.04537 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