CID 93501

Diphenyl hydrogen orthoborate

Structural Information

Molecular Formula

C₁₂H₁₁BO₃

SMILES

B(O)(OC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C12H11BO3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,14H

InChIKey

HORRDWBRNSMTIZ-UHFFFAOYSA-N

Compound name

diphenoxyborinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 404
Patents: 214.08012 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]+	215.087396	143.9
[M+Na]+	237.069338	150.1
[M-H]-	213.072844	149.1
[M+NH4]+	232.113943	161.2
[M+K]+	253.043278	147.8
[M+H-H2O]+	197.077380	136.7
[M+HCOO]-	259.078321	166.9
[M+CH3COO]-	273.093971	182.8
[M+Na-2H]-	235.054786	151.1
[M]+	214.07957142	144.4
[M]-	214.08066858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe