CID 3056383

Phthalimide, n-anilinotetraiodo-

Structural Information

Molecular Formula
C14H6I4N2O2
SMILES
C1=CC=C(C=C1)NN2C(=O)C3=C(C2=O)C(=C(C(=C3I)I)I)I
InChI
InChI=1S/C14H6I4N2O2/c15-9-7-8(10(16)12(18)11(9)17)14(22)20(13(7)21)19-6-4-2-1-3-5-6/h1-5,19H
InChIKey
NNFDNQSETOOMRY-UHFFFAOYSA-N
Compound name
2-anilino-4,5,6,7-tetraiodoisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

741.6608 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 742.66808 191.3
[M+Na]+ 764.65002 178.2
[M-H]- 740.65352 184.3
[M+NH4]+ 759.69462 189.6
[M+K]+ 780.62396 191.1
[M+H-H2O]+ 724.65806 179.4
[M+HCOO]- 786.65900 191.4
[M+CH3COO]- 800.67465 244.2
[M+Na-2H]- 762.63547 173.2
[M]+ 741.66025 185.2
[M]- 741.66135 185.2
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

No patent data available for this compound.