CID 71306584

1,2-bis(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyne

Structural Information

Molecular Formula
C26H32B2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C#CC3=CC=CC(=C3)B4OC(C(O4)(C)C)(C)C
InChI
InChI=1S/C26H32B2O4/c1-23(2)24(3,4)30-27(29-23)21-13-9-11-19(17-21)15-16-20-12-10-14-22(18-20)28-31-25(5,6)26(7,8)32-28/h9-14,17-18H,1-8H3
InChIKey
LCVADPGUUPIJJL-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-[2-[3-(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 187.8
[M+Na]+ 453.23788 202.0
[M-H]- 429.24138 200.0
[M+NH4]+ 448.28248 202.7
[M+K]+ 469.21182 195.7
[M+H-H2O]+ 413.24592 177.1
[M+HCOO]- 475.24686 198.9
[M+CH3COO]- 489.26251 198.5
[M+Na-2H]- 451.22333 188.6
[M]+ 430.24811 188.5
[M]- 430.24921 188.5
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

No patent data available for this compound.