CID 163679

1-(4-bromophenyl)-5-chloro-n-methyl-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C11H9BrClN3O
SMILES
CNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Br)Cl
InChI
InChI=1S/C11H9BrClN3O/c1-14-11(17)9-6-15-16(10(9)13)8-4-2-7(12)3-5-8/h2-6H,1H3,(H,14,17)
InChIKey
HBAWWVGPWOKGRS-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-5-chloro-N-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.96176 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.96904 158.1
[M+Na]+ 335.95098 171.6
[M-H]- 311.95448 165.5
[M+NH4]+ 330.99558 176.6
[M+K]+ 351.92492 158.3
[M+H-H2O]+ 295.95902 156.7
[M+HCOO]- 357.95996 175.2
[M+CH3COO]- 371.97561 200.8
[M+Na-2H]- 333.93643 163.0
[M]+ 312.96121 178.9
[M]- 312.96231 178.9
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