CID 9993953

594823-67-3

Structural Information

Molecular Formula

C₁₂H₁₆BBrO₂

SMILES

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

InChI

InChI=1S/C12H16BBrO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,1-4H3

InChIKey

FHCWGLQDAMYXJS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 282.04266 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]+	283.04994	152.4
[M+Na]+	305.03188	165.2
[M-H]-	281.03538	163.6
[M+NH4]+	300.07648	175.6
[M+K]+	321.00582	157.2
[M+H-H2O]+	265.03992	154.6
[M+HCOO]-	327.04086	171.5
[M+CH3COO]-	341.05651	195.5
[M+Na-2H]-	303.01733	159.9
[M]+	282.04211	173.9
[M]-	282.04321	173.9

Literature stripe

literature stripe

Patent stripe

patents stripe