CID 119011274

3-bromo-2-fluoro-6-methylphenylboronic acid

Structural Information

Molecular Formula
C7H7BBrFO2
SMILES
B(C1=C(C=CC(=C1F)Br)C)(O)O
InChI
InChI=1S/C7H7BBrFO2/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3,11-12H,1H3
InChIKey
FXPYHAXAVPHRAH-UHFFFAOYSA-N
Compound name
(3-bromo-2-fluoro-6-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.97066 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97794 141.5
[M+Na]+ 254.95988 144.1
[M+NH4]+ 250.00448 145.4
[M+K]+ 270.93382 145.1
[M-H]- 230.96338 140.0
[M+Na-2H]- 252.94533 143.3
[M]+ 231.97011 140.1
[M]- 231.97121 140.1
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.