CID 17750069

3-(difluoromethoxy)benzeneboronic acid

Structural Information

Molecular Formula

C₇H₇BF₂O₃

SMILES

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

InChI

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

InChIKey

FGQKXEUNYFZVMW-UHFFFAOYSA-N

Compound name

[3-(difluoromethoxy)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 378
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	133.2
[M+Na]+	211.03484	140.6
[M-H]-	187.03834	131.7
[M+NH4]+	206.07944	151.4
[M+K]+	227.00878	138.9
[M+H-H2O]+	171.04288	126.2
[M+HCOO]-	233.04382	151.7
[M+CH3COO]-	247.05947	176.9
[M+Na-2H]-	209.02029	136.7
[M]+	188.04507	130.0
[M]-	188.04617	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe