CID 26967066

5-bromo-2-((4-methoxybenzyl)oxy)pyridine

Structural Information

Molecular Formula
C13H12BrNO2
SMILES
COC1=CC=C(C=C1)COC2=NC=C(C=C2)Br
InChI
InChI=1S/C13H12BrNO2/c1-16-12-5-2-10(3-6-12)9-17-13-7-4-11(14)8-15-13/h2-8H,9H2,1H3
InChIKey
NCWXAIKSFAEBJX-UHFFFAOYSA-N
Compound name
5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

293.00513 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.012406 155.4
[M+Na]+ 315.994348 166.8
[M-H]- 291.997854 163.4
[M+NH4]+ 311.038953 173.3
[M+K]+ 331.968288 155.9
[M+H-H2O]+ 276.002390 153.8
[M+HCOO]- 338.003331 176.7
[M+CH3COO]- 352.018981 197.4
[M+Na-2H]- 313.979796 163.5
[M]+ 293.00458142 176.7
[M]- 293.00567858 176.7
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