CID 84709197

1-(4-bromo-2-chlorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H6BrClN2
SMILES
C1=CN(N=C1)C2=C(C=C(C=C2)Br)Cl
InChI
InChI=1S/C9H6BrClN2/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-6H
InChIKey
STJCENWHPSVKDV-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-chlorophenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.94029 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.947566 143.2
[M+Na]+ 278.929508 157.9
[M-H]- 254.933014 150.5
[M+NH4]+ 273.974113 164.2
[M+K]+ 294.903448 145.1
[M+H-H2O]+ 238.937550 142.8
[M+HCOO]- 300.938491 160.6
[M+CH3COO]- 314.954141 159.0
[M+Na-2H]- 276.914956 150.6
[M]+ 255.93974142 163.7
[M]- 255.94083858 163.7
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

No patent data available for this compound.