CID 12673495

3-(4-bromophenoxy)-pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

49
Patents

248.97893 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe