CID 58452541

1234319-14-2

Structural Information

Molecular Formula

C₁₃H₁₇BF₂O₂

SMILES

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

InChI

InChI=1S/C13H17BF2O2/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8,11H,1-4H3

InChIKey

XOIBKPJPWFARFO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 254.12897 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]+	255.13625	150.8
[M+Na]+	277.11819	160.3
[M-H]-	253.12169	157.0
[M+NH4]+	272.16279	171.6
[M+K]+	293.09213	160.1
[M+H-H2O]+	237.12623	145.0
[M+HCOO]-	299.12717	168.8
[M+CH3COO]-	313.14282	195.2
[M+Na-2H]-	275.10364	154.7
[M]+	254.12842	151.1
[M]-	254.12952	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe