CID 7577525

2,4-dichloro-6-iodoaniline

Structural Information

Molecular Formula

C₆H₄Cl₂IN

SMILES

C1=C(C=C(C(=C1Cl)N)I)Cl

InChI

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

InChIKey

YJRSMJTVXWBFJJ-UHFFFAOYSA-N

Compound name

2,4-dichloro-6-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

literature stripe

Patent stripe

patents stripe