CID 57416873

2-{4-[2-(4-chlorophenyl)ethynyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C20H20BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H20BClO2/c1-19(2)20(3,4)24-21(23-19)17-11-7-15(8-12-17)5-6-16-9-13-18(22)14-10-16/h7-14H,1-4H3
InChIKey
JYBZGAZKBBARQP-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13176 177.0
[M+Na]+ 361.11370 191.0
[M-H]- 337.11720 185.5
[M+NH4]+ 356.15830 193.2
[M+K]+ 377.08764 182.2
[M+H-H2O]+ 321.12174 164.9
[M+HCOO]- 383.12268 187.8
[M+CH3COO]- 397.13833 188.0
[M+Na-2H]- 359.09915 178.9
[M]+ 338.12393 175.7
[M]- 338.12503 175.7
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.