CID 584319

171364-79-7

Structural Information

Molecular Formula

C₁₃H₁₉BO₃

SMILES

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

InChI

InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6-9H,1-5H3

InChIKey

VFIKPDSQDNROGM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 438
Patents: 234.14273 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]+	235.15001	147.0
[M+Na]+	257.13195	156.5
[M-H]-	233.13545	155.9
[M+NH4]+	252.17655	168.7
[M+K]+	273.10589	157.3
[M+H-H2O]+	217.13999	142.8
[M+HCOO]-	279.14093	168.3
[M+CH3COO]-	293.15658	191.0
[M+Na-2H]-	255.11740	153.5
[M]+	234.14218	151.6
[M]-	234.14328	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe