CID 2734689

3,5-dibromobenzeneboronic acid

Structural Information

Molecular Formula
C6H5BBr2O2
SMILES
B(C1=CC(=CC(=C1)Br)Br)(O)O
InChI
InChI=1S/C6H5BBr2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChIKey
WQBLCGDZYFKINX-UHFFFAOYSA-N
Compound name
(3,5-dibromophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
Patents

277.87494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.88222 136.2
[M+Na]+ 300.86416 146.7
[M-H]- 276.86766 141.0
[M+NH4]+ 295.90876 154.9
[M+K]+ 316.83810 131.2
[M+H-H2O]+ 260.87220 144.4
[M+HCOO]- 322.87314 150.3
[M+CH3COO]- 336.88879 196.4
[M+Na-2H]- 298.84961 142.5
[M]+ 277.87439 168.6
[M]- 277.87549 168.6
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