CID 75470180

3-(4-bromo-2-chlorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H6BrClN2
SMILES
C1=CC(=C(C=C1Br)Cl)C2=CC=NN2
InChI
InChI=1S/C9H6BrClN2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKey
MXKFPDQKKOGZTO-UHFFFAOYSA-N
Compound name
5-(4-bromo-2-chlorophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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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 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.

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No literature data available for this compound.

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No patent data available for this compound.