CID 53415672

1-(4-bromophenyl)-4-methyl-1h-imidazole

Structural Information

Molecular Formula
C10H9BrN2
SMILES
CC1=CN(C=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2/c1-8-6-13(7-12-8)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKey
RHUGYTKASKANII-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-4-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

235.9949 Da
Monoisotopic Mass

2.8
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