CID 25266062

2-bromo-5-methoxybenzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

229.97499 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98227 138.5
[M+Na]+ 252.96421 149.8
[M-H]- 228.96771 142.6
[M+NH4]+ 248.00881 159.0
[M+K]+ 268.93815 139.3
[M+H-H2O]+ 212.97225 138.9
[M+HCOO]- 274.97319 157.6
[M+CH3COO]- 288.98884 182.3
[M+Na-2H]- 250.94966 144.6
[M]+ 229.97444 157.1
[M]- 229.97554 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