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

7
Patents

218.08554 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09282 145.1
[M+Na]+ 241.07476 155.5
[M-H]- 217.07826 148.9
[M+NH4]+ 236.11936 163.1
[M+K]+ 257.04870 151.9
[M+H-H2O]+ 201.08280 136.5
[M+HCOO]- 263.08374 166.8
[M+CH3COO]- 277.09939 189.4
[M+Na-2H]- 239.06021 147.8
[M]+ 218.08499 145.6
[M]- 218.08609 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