CID 4532730

5-bromo-2-methoxyphenylboronic acid

Structural Information

Molecular Formula
C7H8BBrO3
SMILES
B(C1=C(C=CC(=C1)Br)OC)(O)O
InChI
InChI=1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChIKey
FVRLSHRAYPFXRQ-UHFFFAOYSA-N
Compound name
(5-bromo-2-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

229.97499 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.982266 138.5
[M+Na]+ 252.964208 149.8
[M-H]- 228.967714 142.6
[M+NH4]+ 248.008813 159.0
[M+K]+ 268.938148 139.3
[M+H-H2O]+ 212.972250 138.9
[M+HCOO]- 274.973191 157.6
[M+CH3COO]- 288.988841 182.3
[M+Na-2H]- 250.949656 144.6
[M]+ 229.97444142 157.1
[M]- 229.97553858 157.1
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