CID 22065121

503309-10-2

Structural Information

Molecular Formula

C₇H₅BF₄O₃

SMILES

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

InChI

InChI=1S/C7H5BF4O3/c9-6-3-4(15-7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H

InChIKey

YQMMVZVQAHYXFZ-UHFFFAOYSA-N

Compound name

[2-fluoro-4-(trifluoromethoxy)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 224.02678 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]+	225.03406	150.5
[M+Na]+	247.01600	157.3
[M+NH4]+	242.06060	154.0
[M+K]+	262.98994	154.2
[M-H]-	223.01950	144.6
[M+Na-2H]-	245.00145	152.0
[M]+	224.02623	149.3
[M]-	224.02733	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe