CID 312096

1-(3-bromophenyl)-1h-imidazole

Structural Information

Molecular Formula
C9H7BrN2
SMILES
C1=CC(=CC(=C1)Br)N2C=CN=C2
InChI
InChI=1S/C9H7BrN2/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H
InChIKey
QUGKDYCNOGZPMO-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

221.97926 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.986536 137.9
[M+Na]+ 244.968478 150.8
[M-H]- 220.971984 145.1
[M+NH4]+ 240.013083 159.1
[M+K]+ 260.942418 139.9
[M+H-H2O]+ 204.976520 137.1
[M+HCOO]- 266.977461 159.9
[M+CH3COO]- 280.993111 153.7
[M+Na-2H]- 242.953926 146.4
[M]+ 221.97871142 156.3
[M]- 221.97980858 156.3
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