CID 13169698

2-(2-bromophenoxy)pyridine

Structural Information

Molecular Formula
C11H8BrNO
SMILES
C1=CC=C(C(=C1)OC2=CC=CC=N2)Br
InChI
InChI=1S/C11H8BrNO/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H
InChIKey
SMNHOCXRZOGARB-UHFFFAOYSA-N
Compound name
2-(2-bromophenoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

248.97893 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.98621 143.5
[M+Na]+ 271.96815 155.2
[M-H]- 247.97165 151.6
[M+NH4]+ 267.01275 163.0
[M+K]+ 287.94209 144.2
[M+H-H2O]+ 231.97619 142.6
[M+HCOO]- 293.97713 165.4
[M+CH3COO]- 307.99278 158.7
[M+Na-2H]- 269.95360 153.4
[M]+ 248.97838 162.6
[M]- 248.97948 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