CID 14387274

20780-77-2

Structural Information

Molecular Formula
C8H4INO2
SMILES
C1=CC2=C(C=C1I)NC(=O)C2=O
InChI
InChI=1S/C8H4INO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
InChIKey
PHKAOEGXBSERHX-UHFFFAOYSA-N
Compound name
6-iodo-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
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

No literature data available for this compound.

Patent stripe

patents stripe