CID 57416880

4,4,5,5-tetramethyl-2-(4-phenylethynyl-phenyl)-[1,3,2]dioxaborolane

Structural Information

Molecular Formula
C20H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#CC3=CC=CC=C3
InChI
InChI=1S/C20H21BO2/c1-19(2)20(3,4)23-21(22-19)18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h5-9,12-15H,1-4H3
InChIKey
AAIDERXZGJSORP-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

304.16345 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17073 171.0
[M+Na]+ 327.15267 183.5
[M-H]- 303.15617 179.4
[M+NH4]+ 322.19727 187.4
[M+K]+ 343.12661 176.3
[M+H-H2O]+ 287.16071 158.2
[M+HCOO]- 349.16165 185.9
[M+CH3COO]- 363.17730 182.1
[M+Na-2H]- 325.13812 174.0
[M]+ 304.16290 167.5
[M]- 304.16400 167.5
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