CID 46318051

Tetra(4-hydroxy-borylphenyl)methane

Structural Information

Molecular Formula
C25H24B4O8
SMILES
B(C1=CC=C(C=C1)C(C2=CC=C(C=C2)B(O)O)(C3=CC=C(C=C3)B(O)O)C4=CC=C(C=C4)B(O)O)(O)O
InChI
InChI=1S/C25H24B4O8/c30-26(31)21-9-1-17(2-10-21)25(18-3-11-22(12-4-18)27(32)33,19-5-13-23(14-6-19)28(34)35)20-7-15-24(16-8-20)29(36)37/h1-16,30-37H
InChIKey
HUKKNLZHFLXUKJ-UHFFFAOYSA-N
Compound name
[4-[tris(4-boronophenyl)methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

496.18433 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.19161 206.1
[M+Na]+ 519.17355 205.6
[M-H]- 495.17705 208.0
[M+NH4]+ 514.21815 205.8
[M+K]+ 535.14749 203.0
[M+H-H2O]+ 479.18159 197.0
[M+HCOO]- 541.18253 211.7
[M+CH3COO]- 555.19818 226.7
[M+Na-2H]- 517.15900 203.8
[M]+ 496.18378 200.7
[M]- 496.18488 200.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe