CID 23629516

870004-04-9

Structural Information

Molecular Formula

C₁₄H₁₉BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=C

InChI

InChI=1S/C14H19BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h6-10H,1H2,2-5H3

InChIKey

ONBKTEDYJFZZCU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 79
Patents: 230.14781 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.15509	147.0
[M+Na]+	253.13703	156.5
[M-H]-	229.14053	155.8
[M+NH4]+	248.18163	168.9
[M+K]+	269.11097	156.0
[M+H-H2O]+	213.14507	142.9
[M+HCOO]-	275.14601	168.0
[M+CH3COO]-	289.16166	191.1
[M+Na-2H]-	251.12248	152.9
[M]+	230.14726	149.8
[M]-	230.14836	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe