CID 127255460

1415334-59-6

Structural Information

Molecular Formula
C32H23BO2
SMILES
B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC(=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)(O)O
InChI
InChI=1S/C32H23BO2/c34-33(35)32-29-17-9-7-15-27(29)31(28-16-8-10-18-30(28)32)26-20-24(22-11-3-1-4-12-22)19-25(21-26)23-13-5-2-6-14-23/h1-21,34-35H
InChIKey
NQOSAYPSOKFYBW-UHFFFAOYSA-N
Compound name
[10-(3,5-diphenylphenyl)anthracen-9-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

450.1791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.18638 215.5
[M+Na]+ 473.16832 237.2
[M+NH4]+ 468.21292 225.6
[M+K]+ 489.14226 223.9
[M-H]- 449.17182 227.2
[M+Na-2H]- 471.15377 229.4
[M]+ 450.17855 222.6
[M]- 450.17965 222.6
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