CID 157219255

Schembl28718456

Structural Information

Molecular Formula
C36H33BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C36H33BO2/c1-35(2)36(3,4)39-37(38-35)31-22-20-29(21-23-31)34-32(27-16-10-6-11-17-27)24-30(26-14-8-5-9-15-26)25-33(34)28-18-12-7-13-19-28/h5-25H,1-4H3
InChIKey
ASUDAQFFNYWAPO-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(2,4,6-triphenylphenyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

508.25735 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.26463 231.3
[M+Na]+ 531.24657 238.8
[M-H]- 507.25007 250.6
[M+NH4]+ 526.29117 239.4
[M+K]+ 547.22051 233.5
[M+H-H2O]+ 491.25461 217.6
[M+HCOO]- 553.25555 248.5
[M+CH3COO]- 567.27120 239.6
[M+Na-2H]- 529.23202 228.7
[M]+ 508.25680 231.5
[M]- 508.25790 231.5
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