CID 2775922

1582-24-7

Structural Information

Molecular Formula

C₆H₂BF₅O₂

SMILES

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

InChI

InChI=1S/C6H2BF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h13-14H

InChIKey

VASOMTXTRMYSKD-UHFFFAOYSA-N

Compound name

(2,3,4,5,6-pentafluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1544
Patents: 212.0068 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]+	213.01408	152.8
[M+Na]+	234.99602	159.7
[M+NH4]+	230.04062	155.9
[M+K]+	250.96996	155.8
[M-H]-	210.99952	146.9
[M+Na-2H]-	232.98147	153.3
[M]+	212.00625	151.6
[M]-	212.00735	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe