CID 3729659

2-(4-bromophenyl)-4,5-dihydro-1h-imidazole

Structural Information

Molecular Formula
C9H9BrN2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H9BrN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)
InChIKey
UMIZQBIGMUWVTO-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

223.9949 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00218 140.9
[M+Na]+ 246.98412 152.4
[M-H]- 222.98762 146.5
[M+NH4]+ 242.02872 161.3
[M+K]+ 262.95806 140.7
[M+H-H2O]+ 206.99216 140.2
[M+HCOO]- 268.99310 160.1
[M+CH3COO]- 283.00875 155.5
[M+Na-2H]- 244.96957 147.9
[M]+ 223.99435 156.2
[M]- 223.99545 156.2
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