CID 43145273

957060-90-1

Structural Information

Molecular Formula

C₈H₈BF₃O₃

SMILES

B(C1=CC=CC=C1OCC(F)(F)F)(O)O

InChI

InChI=1S/C8H8BF3O3/c10-8(11,12)5-15-7-4-2-1-3-6(7)9(13)14/h1-4,13-14H,5H2

InChIKey

IFWDRBWGMUCFMH-UHFFFAOYSA-N

Compound name

[2-(2,2,2-trifluoroethoxy)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 220.05186 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]+	221.05914	147.6
[M+Na]+	243.04108	155.3
[M+NH4]+	238.08568	152.1
[M+K]+	259.01502	151.8
[M-H]-	219.04458	143.0
[M+Na-2H]-	241.02653	150.3
[M]+	220.05131	147.0
[M]-	220.05241	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe