CID 192981

N-iodophthalimide

Structural Information

Molecular Formula
C8H4INO2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)I
InChI
InChI=1S/C8H4INO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H
InChIKey
ISZGNNPTDCJIIS-UHFFFAOYSA-N
Compound name
2-iodoisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

698
Patents

272.92868 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.93596 139.9
[M+Na]+ 295.91790 145.0
[M+NH4]+ 290.96250 144.0
[M+K]+ 311.89184 144.0
[M-H]- 271.92140 134.8
[M+Na-2H]- 293.90335 132.4
[M]+ 272.92813 137.9
[M]- 272.92923 137.9
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