CID 16218137

1072951-65-5

Structural Information

Molecular Formula

C₁₇H₁₄BClO₃

SMILES

B(C1=CC=CC=C1COC2=CC=C(C3=CC=CC=C32)Cl)(O)O

InChI

InChI=1S/C17H14BClO3/c19-16-9-10-17(14-7-3-2-6-13(14)16)22-11-12-5-1-4-8-15(12)18(20)21/h1-10,20-21H,11H2

InChIKey

IAOBABROWUQOMY-UHFFFAOYSA-N

Compound name

[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 312.07245 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]+	313.079726	167.0
[M+Na]+	335.061668	175.6
[M-H]-	311.065174	172.1
[M+NH4]+	330.106273	182.3
[M+K]+	351.035608	169.3
[M+H-H2O]+	295.069710	160.4
[M+HCOO]-	357.070651	182.0
[M+CH3COO]-	371.086301	178.2
[M+Na-2H]-	333.047116	171.8
[M]+	312.07190142	169.8
[M]-	312.07299858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe