CID 57830297

1221263-05-3

Structural Information

Molecular Formula

C₇H₇BCl₂O₃

SMILES

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

InChI

InChI=1S/C7H7BCl2O3/c1-13-6-3-4(9)2-5(10)7(6)8(11)12/h2-3,11-12H,1H3

InChIKey

JCUAJNNGSNVWQJ-UHFFFAOYSA-N

Compound name

(2,4-dichloro-6-methoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 219.98653 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]+	220.99381	138.3
[M+Na]+	242.97575	152.0
[M+NH4]+	238.02035	146.5
[M+K]+	258.94969	146.4
[M-H]-	218.97925	139.0
[M+Na-2H]-	240.96120	144.0
[M]+	219.98598	141.0
[M]-	219.98708	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe