CID 16217893

849062-00-6

Structural Information

Molecular Formula

C₈H₉BF₂O₃

SMILES

B(C1=C(C=CC(=C1F)OCC)F)(O)O

InChI

InChI=1S/C8H9BF2O3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4,12-13H,2H2,1H3

InChIKey

XNCPAOSJJNRPHW-UHFFFAOYSA-N

Compound name

(3-ethoxy-2,6-difluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 202.06128 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]+	203.06856	142.1
[M+Na]+	225.05050	152.0
[M+NH4]+	220.09510	147.8
[M+K]+	241.02444	147.7
[M-H]-	201.05400	139.6
[M+Na-2H]-	223.03595	145.4
[M]+	202.06073	142.4
[M]-	202.06183	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe