CID 381646

Nsc668465

Structural Information

Molecular Formula
C39H42B2
SMILES
B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C(=C(C=C3C(C)C)C(C)C)B(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C
InChI
InChI=1S/C39H42B2/c1-28(2)35-27-36(29(3)4)39(41(33-23-15-9-16-24-33)34-25-17-10-18-26-34)37(30(5)6)38(35)40(31-19-11-7-12-20-31)32-21-13-8-14-22-32/h7-30H,1-6H3
InChIKey
DDLNPICWDVOKQG-UHFFFAOYSA-N
Compound name
[3-diphenylboranyl-2,4,6-tri(propan-2-yl)phenyl]-diphenylborane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.3473 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.35458 237.2
[M+Na]+ 555.33652 237.1
[M-H]- 531.34002 249.6
[M+NH4]+ 550.38112 240.3
[M+K]+ 571.31046 229.3
[M+H-H2O]+ 515.34456 223.4
[M+HCOO]- 577.34550 250.0
[M+CH3COO]- 591.36115 241.6
[M+Na-2H]- 553.32197 229.4
[M]+ 532.34675 234.7
[M]- 532.34785 234.7
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.