CID 2734313

3-benzyloxyphenylboronic acid

Structural Information

Molecular Formula
C13H13BO3
SMILES
B(C1=CC(=CC=C1)OCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C13H13BO3/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9,15-16H,10H2
InChIKey
WIJNYNBSPQMJGO-UHFFFAOYSA-N
Compound name
(3-phenylmethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

917
Patents

228.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10306 148.6
[M+Na]+ 251.08500 154.9
[M-H]- 227.08850 152.6
[M+NH4]+ 246.12960 164.9
[M+K]+ 267.05894 151.5
[M+H-H2O]+ 211.09304 141.6
[M+HCOO]- 273.09398 169.7
[M+CH3COO]- 287.10963 184.5
[M+Na-2H]- 249.07045 154.0
[M]+ 228.09523 148.0
[M]- 228.09633 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe