CID 97053225

1-benzyl-3-bromo-1h-pyrazole

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1=CC=C(C=C1)CN2C=CC(=N2)Br
InChI
InChI=1S/C10H9BrN2/c11-10-6-7-13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
QVZIWRVCENAKLV-UHFFFAOYSA-N
Compound name
1-benzyl-3-bromopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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 142.5
[M+Na]+ 258.98412 155.0
[M-H]- 234.98762 149.5
[M+NH4]+ 254.02872 163.2
[M+K]+ 274.95806 143.8
[M+H-H2O]+ 218.99216 141.5
[M+HCOO]- 280.99310 164.2
[M+CH3COO]- 295.00875 157.9
[M+Na-2H]- 256.96957 150.5
[M]+ 235.99435 161.2
[M]- 235.99545 161.2
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

patents stripe