CID 110270

Tri(p-cumylphenyl) borate

Structural Information

Molecular Formula
C45H45BO3
SMILES
B(OC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2)(OC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4)OC5=CC=C(C=C5)C(C)(C)C6=CC=CC=C6
InChI
InChI=1S/C45H45BO3/c1-43(2,34-16-10-7-11-17-34)37-22-28-40(29-23-37)47-46(48-41-30-24-38(25-31-41)44(3,4)35-18-12-8-13-19-35)49-42-32-26-39(27-33-42)45(5,6)36-20-14-9-15-21-36/h7-33H,1-6H3
InChIKey
SCTUIUGUZVVWEX-UHFFFAOYSA-N
Compound name
tris[4-(2-phenylpropan-2-yl)phenyl] borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

644.3462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.35348 269.0
[M+Na]+ 667.33542 287.0
[M+NH4]+ 662.38002 275.8
[M+K]+ 683.30936 275.0
[M-H]- 643.33892 281.4
[M+Na-2H]- 665.32087 284.8
[M]+ 644.34565 276.0
[M]- 644.34675 276.0
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

No patent data available for this compound.