CID 817163

3-bromo-5-methoxypyridine

Structural Information

Molecular Formula
C6H6BrNO
SMILES
COC1=CC(=CN=C1)Br
InChI
InChI=1S/C6H6BrNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
InChIKey
FZWUIWQMJFAWJW-UHFFFAOYSA-N
Compound name
3-bromo-5-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1779
Patents

186.96329 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 128.7
[M+Na]+ 209.95251 133.3
[M+NH4]+ 204.99711 134.2
[M+K]+ 225.92645 133.0
[M-H]- 185.95601 129.4
[M+Na-2H]- 207.93796 133.7
[M]+ 186.96274 128.4
[M]- 186.96384 128.4
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