CID 2773292

4-bromo-2,3-difluorophenylboronic acid

Structural Information

Molecular Formula
C6H4BBrF2O2
SMILES
B(C1=C(C(=C(C=C1)Br)F)F)(O)O
InChI
InChI=1S/C6H4BBrF2O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H
InChIKey
CUTKSWXGYLUSCY-UHFFFAOYSA-N
Compound name
(4-bromo-2,3-difluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

235.94559 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95287 144.3
[M+Na]+ 258.93481 146.2
[M+NH4]+ 253.97941 147.5
[M+K]+ 274.90875 147.1
[M-H]- 234.93831 141.4
[M+Na-2H]- 256.92026 145.4
[M]+ 235.94504 142.4
[M]- 235.94614 142.4
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