CID 12859031

4-fluoro-1,3-dimethyl-1h-pyrazol-5-ol

Structural Information

Molecular Formula
C5H7FN2O
SMILES
CC1=C(C(=O)N(N1)C)F
InChI
InChI=1S/C5H7FN2O/c1-3-4(6)5(9)8(2)7-3/h7H,1-2H3
InChIKey
SYVBHKWNZGSMMO-UHFFFAOYSA-N
Compound name
4-fluoro-2,5-dimethyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

130.05424 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06152 120.4
[M+Na]+ 153.04346 132.2
[M-H]- 129.04696 119.9
[M+NH4]+ 148.08806 141.7
[M+K]+ 169.01740 129.9
[M+H-H2O]+ 113.05150 114.0
[M+HCOO]- 175.05244 142.2
[M+CH3COO]- 189.06809 169.4
[M+Na-2H]- 151.02891 125.2
[M]+ 130.05369 119.5
[M]- 130.05479 119.5
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