CID 4738484

2-bromo-4-methoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

510
Patents

186.96329 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe