CID 44119399

4-(1-naphthyl)phenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C16H13BO2
SMILES
B(C1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)(O)O
InChI
InChI=1S/C16H13BO2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18-19H
InChIKey
BQHVXFQXTOIMQM-UHFFFAOYSA-N
Compound name
(4-naphthalen-1-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1057
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

literature stripe

Patent stripe

patents stripe