CID 131365015

3,6-dichloro-2-iodobenzaldehyde

Structural Information

Molecular Formula

C₇H₃Cl₂IO

SMILES

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

InChI

InChI=1S/C7H3Cl2IO/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H

InChIKey

RXECTMCRSPKHQY-UHFFFAOYSA-N

Compound name

3,6-dichloro-2-iodobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.86057 Da
Monoisotopic Mass: 3.3
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]+	300.86785	135.4
[M+Na]+	322.84979	140.4
[M-H]-	298.85329	132.4
[M+NH4]+	317.89439	152.0
[M+K]+	338.82373	141.2
[M+H-H2O]+	282.85783	128.7
[M+HCOO]-	344.85877	146.6
[M+CH3COO]-	358.87442	189.8
[M+Na-2H]-	320.83524	129.7
[M]+	299.86002	136.8
[M]-	299.86112	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.