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

718
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 131.9
[M+Na]+ 295.91790 136.0
[M-H]- 271.92140 129.0
[M+NH4]+ 290.96250 149.5
[M+K]+ 311.89184 139.2
[M+H-H2O]+ 255.92594 123.0
[M+HCOO]- 317.92688 150.4
[M+CH3COO]- 331.94253 186.0
[M+Na-2H]- 293.90335 126.5
[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