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

15
Patents

266.0055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.01278 149.8
[M+Na]+ 288.99472 161.7
[M-H]- 264.99822 156.7
[M+NH4]+ 284.03932 169.2
[M+K]+ 304.96866 150.8
[M+H-H2O]+ 249.00276 148.4
[M+HCOO]- 311.00370 171.3
[M+CH3COO]- 325.01935 191.4
[M+Na-2H]- 286.98017 157.2
[M]+ 266.00495 170.1
[M]- 266.00605 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