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

32
Patents

293.00513 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.01241 155.4
[M+Na]+ 315.99435 166.8
[M-H]- 291.99785 163.4
[M+NH4]+ 311.03895 173.3
[M+K]+ 331.96829 155.9
[M+H-H2O]+ 276.00239 153.8
[M+HCOO]- 338.00333 176.7
[M+CH3COO]- 352.01898 197.4
[M+Na-2H]- 313.97980 163.5
[M]+ 293.00458 176.7
[M]- 293.00568 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