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 211.8
[M+Na]+ 473.16832 218.5
[M-H]- 449.17182 222.9
[M+NH4]+ 468.21292 219.6
[M+K]+ 489.14226 209.4
[M+H-H2O]+ 433.17636 199.2
[M+HCOO]- 495.17730 228.0
[M+CH3COO]- 509.19295 219.2
[M+Na-2H]- 471.15377 215.3
[M]+ 450.17855 210.0
[M]- 450.17965 210.0
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