CID 53217002

2-bromo-4,5-dimethoxyphenol

Structural Information

Molecular Formula
C8H9BrO3
SMILES
COC1=C(C=C(C(=C1)O)Br)OC
InChI
InChI=1S/C8H9BrO3/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,10H,1-2H3
InChIKey
YGMAGXHPUIGKFF-UHFFFAOYSA-N
Compound name
2-bromo-4,5-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

231.97351 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98079 137.9
[M+Na]+ 254.96273 150.8
[M-H]- 230.96623 143.7
[M+NH4]+ 250.00733 159.4
[M+K]+ 270.93667 140.7
[M+H-H2O]+ 214.97077 138.4
[M+HCOO]- 276.97171 159.3
[M+CH3COO]- 290.98736 185.6
[M+Na-2H]- 252.94818 145.1
[M]+ 231.97296 159.3
[M]- 231.97406 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