CID 2794805

690632-72-5

Structural Information

Molecular Formula

C₈H₈BBrO₃

SMILES

B(C1=CC(=CC2=C1OCC2)Br)(O)O

InChI

InChI=1S/C8H8BBrO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h3-4,11-12H,1-2H2

InChIKey

BSSWVOKZPQTKGW-UHFFFAOYSA-N

Compound name

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 241.97499 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]+	242.98227	145.8
[M+Na]+	264.96421	157.1
[M-H]-	240.96771	151.3
[M+NH4]+	260.00881	167.3
[M+K]+	280.93815	147.4
[M+H-H2O]+	224.97225	147.1
[M+HCOO]-	286.97319	163.0
[M+CH3COO]-	300.98884	183.1
[M+Na-2H]-	262.94966	151.9
[M]+	241.97444	163.7
[M]-	241.97554	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe