CID 53216284

3-bromo-4-fluorophenylboronic acid

Structural Information

Molecular Formula
C6H5BBrFO2
SMILES
B(C1=CC(=C(C=C1)F)Br)(O)O
InChI
InChI=1S/C6H5BBrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H
InChIKey
BSJYNLUOXHQGCQ-UHFFFAOYSA-N
Compound name
(3-bromo-4-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

217.955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.962276 135.1
[M+Na]+ 240.944218 146.9
[M-H]- 216.947724 138.1
[M+NH4]+ 235.988823 156.0
[M+K]+ 256.918158 135.7
[M+H-H2O]+ 200.952260 135.1
[M+HCOO]- 262.953201 153.3
[M+CH3COO]- 276.968851 180.1
[M+Na-2H]- 238.929666 141.1
[M]+ 217.95445142 150.9
[M]- 217.95554858 150.9
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