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 163.3
[M+Na]+ 335.95098 167.4
[M+NH4]+ 330.99558 167.4
[M+K]+ 351.92492 168.1
[M-H]- 311.95448 164.5
[M+Na-2H]- 333.93643 167.1
[M]+ 312.96121 163.2
[M]- 312.96231 163.2
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