CID 10130574

(3-phenoxyphenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
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

No literature data available for this compound.

Patent stripe

patents stripe