CID 4043705

20780-78-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

75
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 133.7
[M+Na]+ 295.91790 137.3
[M-H]- 271.92140 129.4
[M+NH4]+ 290.96250 150.6
[M+K]+ 311.89184 139.7
[M+H-H2O]+ 255.92594 125.0
[M+HCOO]- 317.92688 150.7
[M+CH3COO]- 331.94253 183.6
[M+Na-2H]- 293.90335 127.7
[M]+ 272.92813 130.3
[M]- 272.92923 130.3
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