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 135.3
[M+Na]+ 256.91467 148.2
[M-H]- 232.91817 139.6
[M+NH4]+ 251.95927 156.7
[M+K]+ 272.88861 135.4
[M+H-H2O]+ 216.92271 137.2
[M+HCOO]- 278.92365 150.3
[M+CH3COO]- 292.93930 181.2
[M+Na-2H]- 254.90012 141.8
[M]+ 233.92490 154.1
[M]- 233.92600 154.1
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