CID 11736311

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

Structural Information

Molecular Formula
C14H17BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C#CC2=CC=CC=C2
InChI
InChI=1S/C14H17BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-9H,1-4H3
InChIKey
VEIORNIWTVJLCN-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2-phenylethynyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

228.13216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13944 146.7
[M+Na]+ 251.12138 158.9
[M-H]- 227.12488 152.9
[M+NH4]+ 246.16598 166.2
[M+K]+ 267.09532 154.4
[M+H-H2O]+ 211.12942 135.9
[M+HCOO]- 273.13036 162.3
[M+CH3COO]- 287.14601 195.2
[M+Na-2H]- 249.10683 152.2
[M]+ 228.13161 143.5
[M]- 228.13271 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe