CID 744335

4-bromo-3-methyl-5-phenyl-1h-pyrazole

Structural Information

Molecular Formula
C10H9BrN2
SMILES
CC1=C(C(=NN1)C2=CC=CC=C2)Br
InChI
InChI=1S/C10H9BrN2/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)
InChIKey
OMGCVNHAFYEVRU-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-3-phenyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

59
Patents

235.9949 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 147.9
[M+Na]+ 258.98412 152.5
[M+NH4]+ 254.02872 152.9
[M+K]+ 274.95806 152.9
[M-H]- 234.98762 149.2
[M+Na-2H]- 256.96957 152.7
[M]+ 235.99435 147.8
[M]- 235.99545 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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