CID 119013783

2,4-dichloro-3-iodophenol

Structural Information

Molecular Formula

C₆H₃Cl₂IO

SMILES

C1=CC(=C(C(=C1O)Cl)I)Cl

InChI

InChI=1S/C6H3Cl2IO/c7-3-1-2-4(10)5(8)6(3)9/h1-2,10H

InChIKey

DGABXSWLWUYPNE-UHFFFAOYSA-N

Compound name

2,4-dichloro-3-iodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.86057 Da
Monoisotopic Mass: 3.5
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]+	288.86785	133.4
[M+Na]+	310.84979	138.1
[M-H]-	286.85329	129.3
[M+NH4]+	305.89439	149.8
[M+K]+	326.82373	138.9
[M+H-H2O]+	270.85783	127.2
[M+HCOO]-	332.85877	143.4
[M+CH3COO]-	346.87442	185.4
[M+Na-2H]-	308.83524	127.6
[M]+	287.86002	133.4
[M]-	287.86112	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.