CID 2734895

5-bromo-2-methoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3477
Patents

186.96329 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.970566 126.5
[M+Na]+ 209.952508 139.3
[M-H]- 185.956014 132.0
[M+NH4]+ 204.997113 148.9
[M+K]+ 225.926448 129.5
[M+H-H2O]+ 169.960550 126.8
[M+HCOO]- 231.961491 148.6
[M+CH3COO]- 245.977141 178.9
[M+Na-2H]- 207.937956 136.8
[M]+ 186.96274142 146.3
[M]- 186.96383858 146.3
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