CID 88695

5-iodoisatin

Structural Information

Molecular Formula
C8H4INO2
SMILES
C1=CC2=C(C=C1I)C(=O)C(=O)N2
InChI
InChI=1S/C8H4INO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey
OEUGDMOJQQLVAZ-UHFFFAOYSA-N
Compound name
5-iodo-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

473
Patents

272.92868 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.93596 140.7
[M+Na]+ 295.91790 145.3
[M+NH4]+ 290.96250 144.5
[M+K]+ 311.89184 144.6
[M-H]- 271.92140 135.1
[M+Na-2H]- 293.90335 132.6
[M]+ 272.92813 138.5
[M]- 272.92923 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe