CID 16218168

1072951-59-7

Structural Information

Molecular Formula

C₇H₇BI₂O₃

SMILES

B(C1=CC(=CC(=C1OC)I)I)(O)O

InChI

InChI=1S/C7H7BI2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3,11-12H,1H3

InChIKey

GLXUCKYNVDXHBW-UHFFFAOYSA-N

Compound name

(3,5-diiodo-2-methoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 403.85776 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]+	404.86504	157.4
[M+Na]+	426.84698	153.0
[M+NH4]+	421.89158	155.6
[M+K]+	442.82092	155.5
[M-H]-	402.85048	146.1
[M+Na-2H]-	424.83243	140.5
[M]+	403.85721	151.5
[M]-	403.85831	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe