CID 56951398

1314141-37-1

Structural Information

Molecular Formula

C₁₃H₁₈BFO₃

SMILES

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

InChI

InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15/h5-7,16H,8H2,1-4H3

InChIKey

JMJGAHCXMCINOI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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	150.3
[M+Na]+	275.122518	160.4
[M-H]-	251.126024	156.8
[M+NH4]+	270.167123	170.9
[M+K]+	291.096458	159.9
[M+H-H2O]+	235.130560	145.7
[M+HCOO]-	297.131501	169.1
[M+CH3COO]-	311.147151	192.4
[M+Na-2H]-	273.107966	155.2
[M]+	252.13275142	152.5
[M]-	252.13384858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe