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]+ 230.982266 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.