CID 45382257

[1,1'-binaphthalen]-4-ylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C20H15BO2
SMILES
B(C1=CC=C(C2=CC=CC=C12)C3=CC=CC4=CC=CC=C43)(O)O
InChI
InChI=1S/C20H15BO2/c22-21(23)20-13-12-18(17-9-3-4-10-19(17)20)16-11-5-7-14-6-1-2-8-15(14)16/h1-13,22-23H
InChIKey
GKRWMBPEFXXULT-UHFFFAOYSA-N
Compound name
(4-naphthalen-1-ylnaphthalen-1-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

298.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12380 166.7
[M+Na]+ 321.10574 175.4
[M-H]- 297.10924 173.0
[M+NH4]+ 316.15034 182.3
[M+K]+ 337.07968 168.7
[M+H-H2O]+ 281.11378 158.6
[M+HCOO]- 343.11472 185.9
[M+CH3COO]- 357.13037 178.0
[M+Na-2H]- 319.09119 174.2
[M]+ 298.11597 166.6
[M]- 298.11707 166.6
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