CID 146155408

5-benzyl-4-bromo-1h-pyrazole

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1=CC=C(C=C1)CC2=C(C=NN2)Br
InChI
InChI=1S/C10H9BrN2/c11-9-7-12-13-10(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)
InChIKey
GRVMATVNJNHHBD-UHFFFAOYSA-N
Compound name
5-benzyl-4-bromo-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.3
[M+Na]+ 258.98412 155.3
[M-H]- 234.98762 149.0
[M+NH4]+ 254.02872 163.3
[M+K]+ 274.95806 143.3
[M+H-H2O]+ 218.99216 142.5
[M+HCOO]- 280.99310 163.6
[M+CH3COO]- 295.00875 158.0
[M+Na-2H]- 256.96957 150.8
[M]+ 235.99435 160.3
[M]- 235.99545 160.3
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

No patent data available for this compound.