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 139.0
[M+Na]+ 254.95988 151.3
[M-H]- 230.96338 142.2
[M+NH4]+ 250.00448 159.7
[M+K]+ 270.93382 139.8
[M+H-H2O]+ 214.96792 138.9
[M+HCOO]- 276.96886 156.8
[M+CH3COO]- 290.98451 184.0
[M+Na-2H]- 252.94533 143.8
[M]+ 231.97011 155.5
[M]- 231.97121 155.5
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.