CID 163678

1h-pyrazole-4-carboxamide, 5-bromo-1-(3-fluorophenyl)-n-methyl-

Structural Information

Molecular Formula
C11H9BrFN3O
SMILES
CNC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)Br
InChI
InChI=1S/C11H9BrFN3O/c1-14-11(17)9-6-15-16(10(9)12)8-4-2-3-7(13)5-8/h2-6H,1H3,(H,14,17)
InChIKey
ULCOOXBLQVXNPQ-UHFFFAOYSA-N
Compound name
5-bromo-1-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.9913 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.99858 162.7
[M+Na]+ 319.98052 165.2
[M+NH4]+ 315.02512 165.8
[M+K]+ 335.95446 166.6
[M-H]- 295.98402 162.4
[M+Na-2H]- 317.96597 165.5
[M]+ 296.99075 161.6
[M]- 296.99185 161.6
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