CID 10039281

2,5-dibromophenylboronic acid

Structural Information

Molecular Formula

C₆H₅BBr₂O₂

SMILES

B(C1=C(C=CC(=C1)Br)Br)(O)O

InChI

InChI=1S/C6H5BBr2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H

InChIKey

CMLBXUUGERIZOO-UHFFFAOYSA-N

Compound name

(2,5-dibromophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 277.87494 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe