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

259
Patents

214.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.087396 143.9
[M+Na]+ 237.069338 150.7
[M-H]- 213.072844 148.2
[M+NH4]+ 232.113943 160.8
[M+K]+ 253.043278 147.5
[M+H-H2O]+ 197.077380 137.2
[M+HCOO]- 259.078321 165.4
[M+CH3COO]- 273.093971 181.5
[M+Na-2H]- 235.054786 149.9
[M]+ 214.07957142 143.0
[M]- 214.08066858 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