CID 13426032

1-[1-(4-fluorophenyl)-5-methyl-1h-pyrazol-4-yl]ethan-1-one

Structural Information

Molecular Formula
C12H11FN2O
SMILES
CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)C
InChI
InChI=1S/C12H11FN2O/c1-8-12(9(2)16)7-14-15(8)11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChIKey
WGNMHNCXFRDRTH-UHFFFAOYSA-N
Compound name
1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

218.08554 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.092816 145.1
[M+Na]+ 241.074758 155.5
[M-H]- 217.078264 148.9
[M+NH4]+ 236.119363 163.1
[M+K]+ 257.048698 151.9
[M+H-H2O]+ 201.082800 136.5
[M+HCOO]- 263.083741 166.8
[M+CH3COO]- 277.099391 189.4
[M+Na-2H]- 239.060206 147.8
[M]+ 218.08499142 145.6
[M]- 218.08608858 145.6
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