CID 57864493

900795-73-5

Structural Information

Molecular Formula
C24H21B3O6
SMILES
B(C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)B(O)O)C4=CC=C(C=C4)B(O)O)(O)O
InChI
InChI=1S/C24H21B3O6/c28-25(29)22-7-1-16(2-8-22)19-13-20(17-3-9-23(10-4-17)26(30)31)15-21(14-19)18-5-11-24(12-6-18)27(32)33/h1-15,28-33H
InChIKey
AKXLLRRTTCMCOZ-UHFFFAOYSA-N
Compound name
[4-[3,5-bis(4-boronophenyl)phenyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

438.16174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.16902 205.9
[M+Na]+ 461.15096 219.6
[M+NH4]+ 456.19556 210.8
[M+K]+ 477.12490 214.5
[M-H]- 437.15446 211.2
[M+Na-2H]- 459.13641 213.9
[M]+ 438.16119 209.3
[M]- 438.16229 209.3
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