CID 2759005

754226-34-1

Structural Information

Molecular Formula

C₁₃H₁₈BFO₃

SMILES

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

InChI

InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)9-6-7-11(16-5)10(15)8-9/h6-8H,1-5H3

InChIKey

BCVSHUZDQUHOQZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 252.1333 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]+	253.140576	149.1
[M+Na]+	275.122518	159.6
[M-H]-	251.126024	157.0
[M+NH4]+	270.167123	170.3
[M+K]+	291.096458	160.0
[M+H-H2O]+	235.130560	144.3
[M+HCOO]-	297.131501	169.4
[M+CH3COO]-	311.147151	194.9
[M+Na-2H]-	273.107966	154.5
[M]+	252.13275142	153.1
[M]-	252.13384858	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe