CID 2760596

171364-81-1

Structural Information

Molecular Formula

C₁₄H₁₉BO₃

SMILES

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

InChI

InChI=1S/C14H19BO3/c1-10(16)11-6-8-12(9-7-11)15-17-13(2,3)14(4,5)18-15/h6-9H,1-5H3

InChIKey

BATKIZWNRQGSKE-UHFFFAOYSA-N

Compound name

1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 147
Patents: 246.14273 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]+	247.15001	150.5
[M+Na]+	269.13195	159.6
[M-H]-	245.13545	159.3
[M+NH4]+	264.17655	171.6
[M+K]+	285.10589	160.1
[M+H-H2O]+	229.13999	146.4
[M+HCOO]-	291.14093	170.7
[M+CH3COO]-	305.15658	194.1
[M+Na-2H]-	267.11740	155.3
[M]+	246.14218	154.2
[M]-	246.14328	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe