CID 57415690

1034287-04-1

Structural Information

Molecular Formula
C14H17BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#C
InChI
InChI=1S/C14H17BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h1,7-10H,2-5H3
InChIKey
LOVNTFMVZVIASV-UHFFFAOYSA-N
Compound name
2-(4-ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

228.13216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13944 144.7
[M+Na]+ 251.12138 157.6
[M-H]- 227.12488 151.3
[M+NH4]+ 246.16598 164.4
[M+K]+ 267.09532 153.3
[M+H-H2O]+ 211.12942 134.3
[M+HCOO]- 273.13036 160.4
[M+CH3COO]- 287.14601 197.4
[M+Na-2H]- 249.10683 149.9
[M]+ 228.13161 142.1
[M]- 228.13271 142.1
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