CID 14845876

4-bromo-2,6-dimethoxyphenol

Structural Information

Molecular Formula
C8H9BrO3
SMILES
COC1=CC(=CC(=C1O)OC)Br
InChI
InChI=1S/C8H9BrO3/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,10H,1-2H3
InChIKey
VKXCKVRDDDEQOG-UHFFFAOYSA-N
Compound name
4-bromo-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

231.97351 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.980786 137.9
[M+Na]+ 254.962728 150.8
[M-H]- 230.966234 143.7
[M+NH4]+ 250.007333 159.4
[M+K]+ 270.936668 140.7
[M+H-H2O]+ 214.970770 138.4
[M+HCOO]- 276.971711 159.3
[M+CH3COO]- 290.987361 185.6
[M+Na-2H]- 252.948176 145.1
[M]+ 231.97296142 159.3
[M]- 231.97405858 159.3
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