CID 4195533

3-bromo-5-methyl-2-methoxyphenylboronic acid

Structural Information

Molecular Formula
C8H10BBrO3
SMILES
B(C1=CC(=CC(=C1OC)Br)C)(O)O
InChI
InChI=1S/C8H10BBrO3/c1-5-3-6(9(11)12)8(13-2)7(10)4-5/h3-4,11-12H,1-2H3
InChIKey
WHQCYDMSPACJBE-UHFFFAOYSA-N
Compound name
(3-bromo-2-methoxy-5-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

243.99065 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.997926 142.4
[M+Na]+ 266.979868 154.1
[M-H]- 242.983374 146.7
[M+NH4]+ 262.024473 162.6
[M+K]+ 282.953808 143.4
[M+H-H2O]+ 226.987910 142.8
[M+HCOO]- 288.988851 161.1
[M+CH3COO]- 303.004501 186.3
[M+Na-2H]- 264.965316 147.3
[M]+ 243.99010142 161.6
[M]- 243.99119858 161.6
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

patents stripe