CID 14387274

6-iodo-2,3-dihydro-1h-indole-2,3-dione

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 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

No literature data available for this compound.

Patent stripe

patents stripe