CID 2735593

68162-47-0

Structural Information

Molecular Formula

C₇H₈BBrO₂

SMILES

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

InChI

InChI=1S/C7H8BBrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2

InChIKey

PDNOURKEZJZJNZ-UHFFFAOYSA-N

Compound name

[4-(bromomethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 788
Patents: 213.98007 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]+	214.98735	135.9
[M+Na]+	236.96929	138.7
[M+NH4]+	232.01389	140.5
[M+K]+	252.94323	139.5
[M-H]-	212.97279	135.6
[M+Na-2H]-	234.95474	139.0
[M]+	213.97952	134.9
[M]-	213.98062	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe