CID 44717589

871332-96-6

Structural Information

Molecular Formula

C₉H₁₀BF₃O₃

SMILES

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

InChI

InChI=1S/C9H10BF3O3/c1-2-16-8-4-6(9(11,12)13)3-7(5-8)10(14)15/h3-5,14-15H,2H2,1H3

InChIKey

ATZRXKHRSOTBAM-UHFFFAOYSA-N

Compound name

[3-ethoxy-5-(trifluoromethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 234.0675 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]+	235.07478	152.4
[M+Na]+	257.05672	160.1
[M+NH4]+	252.10132	156.7
[M+K]+	273.03066	156.6
[M-H]-	233.06022	147.7
[M+Na-2H]-	255.04217	154.5
[M]+	234.06695	151.7
[M]-	234.06805	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe