CID 16218154

736987-78-3

Structural Information

Molecular Formula

C₁₄H₁₇BF₂O₂

SMILES

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

InChI

InChI=1S/C14H17BF2O2/c1-13(2)14(3,4)19-15(18-13)8-7-10-5-6-11(16)9-12(10)17/h5-9H,1-4H3/b8-7+

InChIKey

BMZXZTQQERUFEM-BQYQJAHWSA-N

Compound name

2-[(E)-2-(2,4-difluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 72
Patents: 266.12897 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]+	267.13625	152.9
[M+Na]+	289.11819	163.5
[M-H]-	265.12169	159.3
[M+NH4]+	284.16279	173.5
[M+K]+	305.09213	162.0
[M+H-H2O]+	249.12623	147.1
[M+HCOO]-	311.12717	171.8
[M+CH3COO]-	325.14282	197.0
[M+Na-2H]-	287.10364	156.9
[M]+	266.12842	153.8
[M]-	266.12952	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe