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 148.3
[M+Na]+ 258.98412 152.6
[M+NH4]+ 254.02872 153.3
[M+K]+ 274.95806 152.8
[M-H]- 234.98762 149.6
[M+Na-2H]- 256.96957 153.3
[M]+ 235.99435 148.1
[M]- 235.99545 148.1
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.

Patent stripe

No patent data available for this compound.