CID 2843859

1-[6-(4-bromophenoxy)hexyl]imidazole

Structural Information

Molecular Formula
C15H19BrN2O
SMILES
C1=CC(=CC=C1OCCCCCCN2C=CN=C2)Br
InChI
InChI=1S/C15H19BrN2O/c16-14-5-7-15(8-6-14)19-12-4-2-1-3-10-18-11-9-17-13-18/h5-9,11,13H,1-4,10,12H2
InChIKey
IRYGYHMJDFFKNF-UHFFFAOYSA-N
Compound name
1-[6-(4-bromophenoxy)hexyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.06808 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.075356 168.0
[M+Na]+ 345.057298 178.1
[M-H]- 321.060804 174.1
[M+NH4]+ 340.101903 185.2
[M+K]+ 361.031238 166.3
[M+H-H2O]+ 305.065340 165.7
[M+HCOO]- 367.066281 188.2
[M+CH3COO]- 381.081931 202.5
[M+Na-2H]- 343.042746 173.2
[M]+ 322.06753142 189.6
[M]- 322.06862858 189.6
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

No patent data available for this compound.