CID 44558165

(3-bromo-2-chlorophenyl)boronic acid

Structural Information

Molecular Formula
C6H5BBrClO2
SMILES
B(C1=C(C(=CC=C1)Br)Cl)(O)O
InChI
InChI=1S/C6H5BBrClO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
InChIKey
YCMXATUQDUMDGW-UHFFFAOYSA-N
Compound name
(3-bromo-2-chlorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

233.92545 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.93273 136.7
[M+Na]+ 256.91467 140.7
[M+NH4]+ 251.95927 141.7
[M+K]+ 272.88861 141.1
[M-H]- 232.91817 136.5
[M+Na-2H]- 254.90012 140.0
[M]+ 233.92490 136.2
[M]- 233.92600 136.2
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