CID 43145326

[3-(2-phenylethoxy)phenyl]boronic acid

Structural Information

Molecular Formula
C14H15BO3
SMILES
B(C1=CC(=CC=C1)OCCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C14H15BO3/c16-15(17)13-7-4-8-14(11-13)18-10-9-12-5-2-1-3-6-12/h1-8,11,16-17H,9-10H2
InChIKey
ZAAIGKIEQCTAJN-UHFFFAOYSA-N
Compound name
[3-(2-phenylethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

242.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11870 154.7
[M+Na]+ 265.10064 168.0
[M+NH4]+ 260.14524 162.7
[M+K]+ 281.07458 161.2
[M-H]- 241.10414 158.1
[M+Na-2H]- 263.08609 163.1
[M]+ 242.11087 157.5
[M]- 242.11197 157.5
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