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

31
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 144.0
[M+Na]+ 278.92951 158.2
[M-H]- 254.93301 150.0
[M+NH4]+ 273.97411 164.3
[M+K]+ 294.90345 144.5
[M+H-H2O]+ 238.93755 143.7
[M+HCOO]- 300.93849 160.0
[M+CH3COO]- 314.95414 159.1
[M+Na-2H]- 276.91496 150.9
[M]+ 255.93974 162.7
[M]- 255.94084 162.7
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

patents stripe