CID 2734377

4-phenoxyphenylboronic acid

Structural Information

Molecular Formula
C12H11BO3
SMILES
B(C1=CC=C(C=C1)OC2=CC=CC=C2)(O)O
InChI
InChI=1S/C12H11BO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9,14-15H
InChIKey
KFXUHRXGLWUOJT-UHFFFAOYSA-N
Compound name
(4-phenoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2172
Patents

214.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08740 143.9
[M+Na]+ 237.06934 150.7
[M-H]- 213.07284 148.2
[M+NH4]+ 232.11394 160.8
[M+K]+ 253.04328 147.5
[M+H-H2O]+ 197.07738 137.2
[M+HCOO]- 259.07832 165.4
[M+CH3COO]- 273.09397 181.5
[M+Na-2H]- 235.05479 149.9
[M]+ 214.07957 143.0
[M]- 214.08067 143.0
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