CID 102476871

2-bromo-4-methoxyphenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.97499 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98227 138.6
[M+Na]+ 252.96421 141.3
[M+NH4]+ 248.00881 142.8
[M+K]+ 268.93815 142.8
[M-H]- 228.96771 138.0
[M+Na-2H]- 250.94966 141.1
[M]+ 229.97444 137.5
[M]- 229.97554 137.5
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

No patent data available for this compound.