CID 22558652

151169-72-1

Structural Information

Molecular Formula

C₁₀H₉BO₃

SMILES

B(C1=CC2=C(C=C1)C=CC(=C2)O)(O)O

InChI

InChI=1S/C10H9BO3/c12-10-4-2-7-1-3-9(11(13)14)5-8(7)6-10/h1-6,12-14H

InChIKey

MZWUEPMDFICBJA-UHFFFAOYSA-N

Compound name

(7-hydroxynaphthalen-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 188.06447 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]+	189.07175	135.7
[M+Na]+	211.05369	144.0
[M-H]-	187.05719	136.9
[M+NH4]+	206.09829	154.7
[M+K]+	227.02763	140.5
[M+H-H2O]+	171.06173	130.8
[M+HCOO]-	233.06267	154.8
[M+CH3COO]-	247.07832	176.0
[M+Na-2H]-	209.03914	142.5
[M]+	188.06392	134.1
[M]-	188.06502	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe