CID 44754772

917969-79-0

Structural Information

Molecular Formula

C₇H₇BF₂O₃

SMILES

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

InChI

InChI=1S/C7H7BF2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-2,11-13H,3H2

InChIKey

ZAVFFEDOMNZWQE-UHFFFAOYSA-N

Compound name

[3,5-difluoro-4-(hydroxymethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 188.04562 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]+	189.05290	137.7
[M+Na]+	211.03484	147.3
[M+NH4]+	206.07944	143.3
[M+K]+	227.00878	143.5
[M-H]-	187.03834	134.8
[M+Na-2H]-	209.02029	140.7
[M]+	188.04507	137.8
[M]-	188.04617	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe