CID 45382255

3-(2-naphthyl)phenylboronic acid

Structural Information

Molecular Formula
C16H13BO2
SMILES
B(C1=CC(=CC=C1)C2=CC3=CC=CC=C3C=C2)(O)O
InChI
InChI=1S/C16H13BO2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18-19H
InChIKey
WLKQDOGZCIYEOM-UHFFFAOYSA-N
Compound name
(3-naphthalen-2-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

248.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10814 153.6
[M+Na]+ 271.09008 161.0
[M-H]- 247.09358 158.7
[M+NH4]+ 266.13468 170.3
[M+K]+ 287.06402 155.7
[M+H-H2O]+ 231.09812 146.5
[M+HCOO]- 293.09906 173.3
[M+CH3COO]- 307.11471 165.4
[M+Na-2H]- 269.07553 160.0
[M]+ 248.10031 151.7
[M]- 248.10141 151.7
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