CID 11243074

5-iodo-1,4-dihydronaphthalene-1,4-dione

Structural Information

Molecular Formula

C₁₀H₅IO₂

SMILES

C1=CC2=C(C(=O)C=CC2=O)C(=C1)I

InChI

InChI=1S/C10H5IO2/c11-7-3-1-2-6-8(12)4-5-9(13)10(6)7/h1-5H

InChIKey

UCYMWXPEWAVMNX-UHFFFAOYSA-N

Compound name

5-iodonaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 283.93344 Da
Monoisotopic Mass: 2.1
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]+	284.94072	136.2
[M+Na]+	306.92266	139.4
[M-H]-	282.92616	134.3
[M+NH4]+	301.96726	152.8
[M+K]+	322.89660	142.3
[M+H-H2O]+	266.93070	127.2
[M+HCOO]-	328.93164	154.5
[M+CH3COO]-	342.94729	189.3
[M+Na-2H]-	304.90811	132.1
[M]+	283.93289	134.0
[M]-	283.93399	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe