CID 96758

65833-01-4

Structural Information

Molecular Formula
C10H6INO2
SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)I
InChI
InChI=1S/C10H6INO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InChIKey
GIXQASIEVHMYQH-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

56
Patents

298.94434 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.95162 142.5
[M+Na]+ 321.93356 145.6
[M-H]- 297.93706 141.5
[M+NH4]+ 316.97816 157.7
[M+K]+ 337.90750 148.5
[M+H-H2O]+ 281.94160 132.4
[M+HCOO]- 343.94254 161.8
[M+CH3COO]- 357.95819 190.0
[M+Na-2H]- 319.91901 135.2
[M]+ 298.94379 140.2
[M]- 298.94489 140.2
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