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 148.6
[M+Na]+ 241.07476 161.7
[M+NH4]+ 236.11936 155.8
[M+K]+ 257.04870 157.2
[M-H]- 217.07826 149.7
[M+Na-2H]- 239.06021 155.5
[M]+ 218.08499 150.7
[M]- 218.08609 150.7
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