CID 17750248

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

Structural Information

Molecular Formula

C₁₃H₁₅BF₄O₂

SMILES

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

InChI

InChI=1S/C13H15BF4O2/c1-11(2)12(3,4)20-14(19-11)9-6-5-8(7-10(9)15)13(16,17)18/h5-7H,1-4H3

InChIKey

ZXEYGQNXUCXTBK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 290.1101 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]+	291.117376	155.1
[M+Na]+	313.099318	166.4
[M-H]-	289.102824	159.2
[M+NH4]+	308.143923	174.8
[M+K]+	329.073258	165.5
[M+H-H2O]+	273.107360	148.3
[M+HCOO]-	335.108301	170.4
[M+CH3COO]-	349.123951	200.9
[M+Na-2H]-	311.084766	159.6
[M]+	290.10955142	153.5
[M]-	290.11064858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe