CID 12187454

849681-64-7

Structural Information

Molecular Formula
C26H32B2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)B4OC(C(O4)(C)C)(C)C
InChI
InChI=1S/C26H32B2O4/c1-23(2)24(3,4)30-27(29-23)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-31-25(5,6)26(7,8)32-28/h11-18H,1-8H3
InChIKey
QJTLCFKOLMALPJ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.24866 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.25594 178.7
[M+Na]+ 453.23788 191.7
[M+NH4]+ 448.28248 187.2
[M+K]+ 469.21182 180.5
[M-H]- 429.24138 181.1
[M+Na-2H]- 451.22333 186.3
[M]+ 430.24811 181.4
[M]- 430.24921 181.4
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.