CID 14339099

4-bromo-3,5-dimethoxyphenol

Structural Information

Molecular Formula
C8H9BrO3
SMILES
COC1=CC(=CC(=C1Br)OC)O
InChI
InChI=1S/C8H9BrO3/c1-11-6-3-5(10)4-7(12-2)8(6)9/h3-4,10H,1-2H3
InChIKey
DANCJFHGXPUGFD-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

231.97351 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98079 139.6
[M+Na]+ 254.96273 143.4
[M+NH4]+ 250.00733 144.1
[M+K]+ 270.93667 143.9
[M-H]- 230.96623 139.6
[M+Na-2H]- 252.94818 142.7
[M]+ 231.97296 138.9
[M]- 231.97406 138.9
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