CID 1487504

3-(4-bromophenyl)-5-methyl-1h-pyrazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
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

literature stripe

Patent stripe

patents stripe