CID 16218040

871126-28-2

Structural Information

Molecular Formula

C₉H₉BF₄O₃

SMILES

B(C1=C(C(=C(C(=C1F)F)OC(C)C)F)F)(O)O

InChI

InChI=1S/C9H9BF4O3/c1-3(2)17-9-7(13)5(11)4(10(15)16)6(12)8(9)14/h3,15-16H,1-2H3

InChIKey

YOXGBYWSEKQTAW-UHFFFAOYSA-N

Compound name

(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 252.05809 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]+	253.06537	159.9
[M+Na]+	275.04731	167.2
[M+NH4]+	270.09191	163.1
[M+K]+	291.02125	163.7
[M-H]-	251.05081	154.5
[M+Na-2H]-	273.03276	160.0
[M]+	252.05754	158.9
[M]-	252.05864	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe