CID 2783273

179923-32-1

Structural Information

Molecular Formula

C₆H₃BF₄O₂

SMILES

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

InChI

InChI=1S/C6H3BF4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,12-13H

InChIKey

GXGSBMNUHWAXHP-UHFFFAOYSA-N

Compound name

(2,3,4,5-tetrafluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 194.01622 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]+	195.02350	129.0
[M+Na]+	217.00544	140.0
[M-H]-	193.00894	126.0
[M+NH4]+	212.05004	147.8
[M+K]+	232.97938	136.8
[M+H-H2O]+	177.01348	121.1
[M+HCOO]-	239.01442	146.4
[M+CH3COO]-	253.03007	180.3
[M+Na-2H]-	214.99089	131.1
[M]+	194.01567	123.4
[M]-	194.01677	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe