CID 45382255

870774-29-1

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

246
Patents

248.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10814 155.2
[M+Na]+ 271.09008 171.1
[M+NH4]+ 266.13468 164.9
[M+K]+ 287.06402 162.9
[M-H]- 247.09358 160.5
[M+Na-2H]- 269.07553 164.9
[M]+ 248.10031 159.2
[M]- 248.10141 159.2
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