CID 23148600

853945-50-3

Structural Information

Molecular Formula
C30H21BO2
SMILES
B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC=C(C=C4)C5=CC=CC6=CC=CC=C65)(O)O
InChI
InChI=1S/C30H21BO2/c32-31(33)30-27-13-5-3-11-25(27)29(26-12-4-6-14-28(26)30)22-18-16-21(17-19-22)24-15-7-9-20-8-1-2-10-23(20)24/h1-19,32-33H
InChIKey
OFXAVYZQVCXGCX-UHFFFAOYSA-N
Compound name
[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

424.16345 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17073 206.6
[M+Na]+ 447.15267 228.0
[M+NH4]+ 442.19727 217.3
[M+K]+ 463.12661 215.1
[M-H]- 423.15617 216.9
[M+Na-2H]- 445.13812 218.7
[M]+ 424.16290 213.3
[M]- 424.16400 213.3
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