CID 803108

1-[2-(3-bromophenoxy)ethyl]-1h-imidazole

Structural Information

Molecular Formula
C11H11BrN2O
SMILES
C1=CC(=CC(=C1)Br)OCCN2C=CN=C2
InChI
InChI=1S/C11H11BrN2O/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14/h1-5,8-9H,6-7H2
InChIKey
VPVVZQWGTPPHAE-UHFFFAOYSA-N
Compound name
1-[2-(3-bromophenoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

266.0055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.012776 149.8
[M+Na]+ 288.994718 161.7
[M-H]- 264.998224 156.7
[M+NH4]+ 284.039323 169.2
[M+K]+ 304.968658 150.8
[M+H-H2O]+ 249.002760 148.4
[M+HCOO]- 311.003701 171.3
[M+CH3COO]- 325.019351 191.4
[M+Na-2H]- 286.980166 157.2
[M]+ 266.00495142 170.1
[M]- 266.00604858 170.1
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

patents stripe