CID 53216313

1046861-20-4

Structural Information

Molecular Formula

C₆H₅BBrClO₂

SMILES

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

InChI

InChI=1S/C6H5BBrClO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H

InChIKey

HVPHTYHDVLGKMO-UHFFFAOYSA-N

Compound name

(4-bromo-2-chlorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 233.92545 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]+	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe