CID 15869697

2-bromo-5-fluorobenzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

217.955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96228 135.1
[M+Na]+ 240.94422 146.9
[M-H]- 216.94772 138.1
[M+NH4]+ 235.98882 156.0
[M+K]+ 256.91816 135.7
[M+H-H2O]+ 200.95226 135.1
[M+HCOO]- 262.95320 153.3
[M+CH3COO]- 276.96885 180.1
[M+Na-2H]- 238.92967 141.1
[M]+ 217.95445 150.9
[M]- 217.95555 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

literature stripe

Patent stripe

patents stripe