CID 75422432

1-(4-bromo-2-methylphenyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H9BrN2
SMILES
CC1=C(C=CC(=C1)Br)N2C=CC=N2
InChI
InChI=1S/C10H9BrN2/c1-8-7-9(11)3-4-10(8)13-6-2-5-12-13/h2-7H,1H3
InChIKey
QUZDFTSXLKGXGF-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-methylphenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

235.9949 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 142.2
[M+Na]+ 258.98412 155.6
[M-H]- 234.98762 149.7
[M+NH4]+ 254.02872 163.2
[M+K]+ 274.95806 144.4
[M+H-H2O]+ 218.99216 141.4
[M+HCOO]- 280.99310 163.9
[M+CH3COO]- 295.00875 158.0
[M+Na-2H]- 256.96957 149.6
[M]+ 235.99435 161.3
[M]- 235.99545 161.3
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