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 138.5
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.