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 156.1
[M+Na]+ 319.98052 168.7
[M-H]- 295.98402 162.4
[M+NH4]+ 315.02512 174.3
[M+K]+ 335.95446 156.7
[M+H-H2O]+ 279.98856 153.4
[M+HCOO]- 341.98950 176.7
[M+CH3COO]- 356.00515 199.9
[M+Na-2H]- 317.96597 160.8
[M]+ 296.99075 174.1
[M]- 296.99185 174.1
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