CID 5708413

83947-56-2

Structural Information

Molecular Formula

C₁₄H₁₉BO₂

SMILES

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

InChI

InChI=1S/C14H19BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+

InChIKey

ARAINKADEARZLZ-ZHACJKMWSA-N

Compound name

4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 277
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	148.7
[M+Na]+	253.13703	157.3
[M-H]-	229.14053	157.1
[M+NH4]+	248.18163	170.3
[M+K]+	269.11097	156.7
[M+H-H2O]+	213.14507	144.1
[M+HCOO]-	275.14601	169.7
[M+CH3COO]-	289.16166	189.3
[M+Na-2H]-	251.12248	155.0
[M]+	230.14726	150.9
[M]-	230.14836	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe