CID 58053168

1-(6-bromo-5-methoxypyridin-2-yl)ethanone

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
CC(=O)C1=NC(=C(C=C1)OC)Br
InChI
InChI=1S/C8H8BrNO2/c1-5(11)6-3-4-7(12-2)8(9)10-6/h3-4H,1-2H3
InChIKey
CQRAOIBFYFMYLM-UHFFFAOYSA-N
Compound name
1-(6-bromo-5-methoxypyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

228.97385 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 138.2
[M+Na]+ 251.96307 142.1
[M+NH4]+ 247.00767 142.5
[M+K]+ 267.93701 142.7
[M-H]- 227.96657 138.0
[M+Na-2H]- 249.94852 141.7
[M]+ 228.97330 137.4
[M]- 228.97440 137.4
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