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]+ 256.94757 148.9
[M+Na]+ 278.92951 154.9
[M+NH4]+ 273.97411 154.6
[M+K]+ 294.90345 154.4
[M-H]- 254.93301 150.7
[M+Na-2H]- 276.91496 154.5
[M]+ 255.93974 149.4
[M]- 255.94084 149.4
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.