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]+ 232.980786 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

No literature data available for this compound.

Patent stripe

patents stripe