CID 312714

1-chloro-2-iodo-4-nitrobenzene

Structural Information

Molecular Formula

C₆H₃ClINO₂

SMILES

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

InChI

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

InChIKey

LOQLBMYYBHCMJJ-UHFFFAOYSA-N

Compound name

1-chloro-2-iodo-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 170
Patents: 282.8897 Da
Monoisotopic Mass: 2.6
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