CID 18095022

5-(4-bromophenoxy)-1-methyl-4-nitro-1h-imidazole

Structural Information

Molecular Formula
C10H8BrN3O3
SMILES
CN1C=NC(=C1OC2=CC=C(C=C2)Br)[N+](=O)[O-]
InChI
InChI=1S/C10H8BrN3O3/c1-13-6-12-9(14(15)16)10(13)17-8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKey
ZNEXPAPTIKHSPO-UHFFFAOYSA-N
Compound name
5-(4-bromophenoxy)-1-methyl-4-nitroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.9749 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.98218 155.6
[M+Na]+ 319.96412 167.6
[M-H]- 295.96762 163.4
[M+NH4]+ 315.00872 173.2
[M+K]+ 335.93806 153.3
[M+H-H2O]+ 279.97216 158.0
[M+HCOO]- 341.97310 178.3
[M+CH3COO]- 355.98875 192.0
[M+Na-2H]- 317.94957 163.7
[M]+ 296.97435 175.4
[M]- 296.97545 175.4
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

No patent data available for this compound.