CID 23201935

2-(4-bromophenoxy)pyridine

Structural Information

Molecular Formula
C11H8BrNO
SMILES
C1=CC=NC(=C1)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H8BrNO/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H
InChIKey
FOKJQGKEVMZAJE-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

248.97893 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.986206 143.5
[M+Na]+ 271.968148 155.2
[M-H]- 247.971654 151.6
[M+NH4]+ 267.012753 163.0
[M+K]+ 287.942088 144.2
[M+H-H2O]+ 231.976190 142.6
[M+HCOO]- 293.977131 165.4
[M+CH3COO]- 307.992781 158.7
[M+Na-2H]- 269.953596 153.4
[M]+ 248.97838142 162.6
[M]- 248.97947858 162.6
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