CID 59485629

1035491-05-4

Structural Information

Molecular Formula

C₁₂H₁₀BClO₃

SMILES

B(C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)(O)O

InChI

InChI=1S/C12H10BClO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,15-16H

InChIKey

KWCZAQAFQKTBBY-UHFFFAOYSA-N

Compound name

[4-(4-chlorophenoxy)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 248.04115 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]+	249.04843	148.9
[M+Na]+	271.03037	157.4
[M-H]-	247.03387	153.3
[M+NH4]+	266.07497	165.7
[M+K]+	287.00431	152.5
[M+H-H2O]+	231.03841	143.2
[M+HCOO]-	293.03935	165.9
[M+CH3COO]-	307.05500	186.4
[M+Na-2H]-	269.01582	153.8
[M]+	248.04060	150.6
[M]-	248.04170	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe