CID 131735439

2223059-10-5

Structural Information

Molecular Formula

C₁₄H₁₉BF₂O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(C)(F)F

InChI

InChI=1S/C14H19BF2O2/c1-12(2)13(3,4)19-15(18-12)11-9-7-6-8-10(11)14(5,16)17/h6-9H,1-5H3

InChIKey

FUXRSWYVUNKMOG-UHFFFAOYSA-N

Compound name

2-[2-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 268.14462 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]+	269.151896	153.8
[M+Na]+	291.133838	163.5
[M-H]-	267.137344	160.0
[M+NH4]+	286.178443	174.1
[M+K]+	307.107778	163.2
[M+H-H2O]+	251.141880	148.4
[M+HCOO]-	313.142821	170.9
[M+CH3COO]-	327.158471	197.8
[M+Na-2H]-	289.119286	159.5
[M]+	268.14407142	154.5
[M]-	268.14516858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe