CID 23088558

400607-46-7

Structural Information

Molecular Formula
C24H17BO2
SMILES
B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC=CC5=CC=CC=C54)(O)O
InChI
InChI=1S/C24H17BO2/c26-25(27)24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18/h1-15,26-27H
InChIKey
ASQXKNXJNDLXQV-UHFFFAOYSA-N
Compound name
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

329
Patents

348.13217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13945 183.1
[M+Na]+ 371.12139 202.7
[M+NH4]+ 366.16599 193.9
[M+K]+ 387.09533 191.5
[M-H]- 347.12489 190.8
[M+Na-2H]- 369.10684 193.5
[M]+ 348.13162 188.6
[M]- 348.13272 188.6
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