CID 43145394

(2,3,5,6-tetrachlorophenyl)boronic acid

Structural Information

Molecular Formula

C₆H₃BCl₄O₂

SMILES

B(C1=C(C(=CC(=C1Cl)Cl)Cl)Cl)(O)O

InChI

InChI=1S/C6H3BCl4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,12-13H

InChIKey

KSXOWHWNDUKBPA-UHFFFAOYSA-N

Compound name

(2,3,5,6-tetrachlorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 257.898 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]+	258.90528	139.9
[M+Na]+	280.88722	150.8
[M-H]-	256.89072	138.8
[M+NH4]+	275.93182	157.0
[M+K]+	296.86116	144.9
[M+H-H2O]+	240.89526	139.2
[M+HCOO]-	302.89620	141.2
[M+CH3COO]-	316.91185	189.8
[M+Na-2H]-	278.87267	141.2
[M]+	257.89745	141.2
[M]-	257.89855	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe