CID 11610183

76179-43-6

Structural Information

Molecular Formula

C₆H₆I₂N₂

SMILES

C1=C(C(=CC(=C1I)I)N)N

InChI

InChI=1S/C6H6I2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

InChIKey

DIBFUNSINNCILZ-UHFFFAOYSA-N

Compound name

4,5-diiodobenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 359.86203 Da
Monoisotopic Mass: 1.9
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]+	360.86931	151.2
[M+Na]+	382.85125	145.4
[M-H]-	358.85475	142.9
[M+NH4]+	377.89585	160.8
[M+K]+	398.82519	154.6
[M+H-H2O]+	342.85929	139.6
[M+HCOO]-	404.86023	164.4
[M+CH3COO]-	418.87588	203.0
[M+Na-2H]-	380.83670	137.5
[M]+	359.86148	143.5
[M]-	359.86258	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe