CID 68480667

1160561-29-4

Structural Information

Molecular Formula

C₆H₄BCl₂FO₂

SMILES

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

InChI

InChI=1S/C6H4BCl2FO2/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2,11-12H

InChIKey

VAGMFOMFJZBNKB-UHFFFAOYSA-N

Compound name

(3,4-dichloro-2-fluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 207.96654 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]+	208.97382	132.2
[M+Na]+	230.95576	145.4
[M+NH4]+	226.00036	140.2
[M+K]+	246.92970	139.8
[M-H]-	206.95926	131.8
[M+Na-2H]-	228.94121	137.9
[M]+	207.96599	134.4
[M]-	207.96709	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe