CID 22031839

4-bromo-3-(4-chlorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H6BrClN2
SMILES
C1=CC(=CC=C1C2=C(C=NN2)Br)Cl
InChI
InChI=1S/C9H6BrClN2/c10-8-5-12-13-9(8)6-1-3-7(11)4-2-6/h1-5H,(H,12,13)
InChIKey
DUYIFLCOHJZQKG-UHFFFAOYSA-N
Compound name
4-bromo-5-(4-chlorophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
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 150.0
[M+Na]+ 278.92951 155.5
[M+NH4]+ 273.97411 155.3
[M+K]+ 294.90345 155.2
[M-H]- 254.93301 151.3
[M+Na-2H]- 276.91496 155.0
[M]+ 255.93974 150.2
[M]- 255.94084 150.2
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