CID 11426100

4-chloro-2-iodo-1-nitrobenzene

Structural Information

Molecular Formula

C₆H₃ClINO₂

SMILES

C1=CC(=C(C=C1Cl)I)[N+](=O)[O-]

InChI

InChI=1S/C6H3ClINO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

InChIKey

OTLJSDATRAVVAV-UHFFFAOYSA-N

Compound name

4-chloro-2-iodo-1-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 282.8897 Da
Monoisotopic Mass: 3.0
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]+	283.89698	139.9
[M+Na]+	305.87892	147.5
[M+NH4]+	300.92352	145.0
[M+K]+	321.85286	146.1
[M-H]-	281.88242	137.5
[M+Na-2H]-	303.86437	134.9
[M]+	282.88915	139.6
[M]-	282.89025	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe