CID 11021782

223919-54-8

Structural Information

Molecular Formula

C₁₄H₁₈BClO₂

SMILES

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

InChI

InChI=1S/C14H18BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-10H,1-4H3/b10-9+

InChIKey

CQJXSSVRGHRVOK-MDZDMXLPSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 264.10883 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]+	265.11611	155.1
[M+Na]+	287.09805	165.3
[M-H]-	263.10155	163.6
[M+NH4]+	282.14265	176.4
[M+K]+	303.07199	162.7
[M+H-H2O]+	247.10609	151.3
[M+HCOO]-	309.10703	171.4
[M+CH3COO]-	323.12268	194.2
[M+Na-2H]-	285.08350	160.2
[M]+	264.10828	159.6
[M]-	264.10938	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe