CID 23088558

10-(1-naphthyl)anthracene-9-boronic acid

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

375
Patents

348.13217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13945 180.5
[M+Na]+ 371.12139 189.1
[M-H]- 347.12489 187.4
[M+NH4]+ 366.16599 194.7
[M+K]+ 387.09533 181.3
[M+H-H2O]+ 331.12943 171.0
[M+HCOO]- 393.13037 197.5
[M+CH3COO]- 407.14602 190.5
[M+Na-2H]- 369.10684 187.8
[M]+ 348.13162 180.4
[M]- 348.13272 180.4
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