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

16
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 146.9
[M+Na]+ 258.98412 151.9
[M+NH4]+ 254.02872 152.2
[M+K]+ 274.95806 152.1
[M-H]- 234.98762 148.6
[M+Na-2H]- 256.96957 152.2
[M]+ 235.99435 147.0
[M]- 235.99545 147.0
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