CID 146155093

2416235-31-7

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1=CC(=CC(=C1)C2=CC=NN2)CBr
InChI
InChI=1S/C10H9BrN2/c11-7-8-2-1-3-9(6-8)10-4-5-12-13-10/h1-6H,7H2,(H,12,13)
InChIKey
GQHMLUCGVIBIQG-UHFFFAOYSA-N
Compound name
5-[3-(bromomethyl)phenyl]-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9949 Da
Monoisotopic Mass

2.4
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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.