CID 53425967

325143-04-2

Structural Information

Molecular Formula

C₁₂H₁₄BF₃O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2F)F)F

InChI

InChI=1S/C12H14BF3O2/c1-11(2)12(3,4)18-13(17-11)10-8(15)5-7(14)6-9(10)16/h5-6H,1-4H3

InChIKey

WGSOTRDCTUSXOP-UHFFFAOYSA-N

Compound name

4,4,5,5-tetramethyl-2-(2,4,6-trifluorophenyl)-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.10388 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]+	259.11116	146.8
[M+Na]+	281.09310	158.9
[M-H]-	257.09660	152.5
[M+NH4]+	276.13770	168.0
[M+K]+	297.06704	158.0
[M+H-H2O]+	241.10114	140.6
[M+HCOO]-	303.10208	165.0
[M+CH3COO]-	317.11773	196.5
[M+Na-2H]-	279.07855	150.8
[M]+	258.10333	147.0
[M]-	258.10443	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe