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]+ 244.99793 142.4
[M+Na]+ 266.97987 154.1
[M-H]- 242.98337 146.7
[M+NH4]+ 262.02447 162.6
[M+K]+ 282.95381 143.4
[M+H-H2O]+ 226.98791 142.8
[M+HCOO]- 288.98885 161.1
[M+CH3COO]- 303.00450 186.3
[M+Na-2H]- 264.96532 147.3
[M]+ 243.99010 161.6
[M]- 243.99120 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