CID 68821297

2,4-dichloro-3-iodoaniline

Structural Information

Molecular Formula

C₆H₄Cl₂IN

SMILES

C1=CC(=C(C(=C1N)Cl)I)Cl

InChI

InChI=1S/C6H4Cl2IN/c7-3-1-2-4(10)5(8)6(3)9/h1-2H,10H2

InChIKey

RUDLUDMSNSKIGM-UHFFFAOYSA-N

Compound name

2,4-dichloro-3-iodoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 286.87656 Da
Monoisotopic Mass: 3.1
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]+	287.88384	138.3
[M+Na]+	309.86578	142.6
[M-H]-	285.86928	134.8
[M+NH4]+	304.91038	154.8
[M+K]+	325.83972	143.2
[M+H-H2O]+	269.87382	131.5
[M+HCOO]-	331.87476	149.7
[M+CH3COO]-	345.89041	189.8
[M+Na-2H]-	307.85123	131.8
[M]+	286.87601	137.0
[M]-	286.87711	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe