CID 120273

N-iodosuccinimide

Structural Information

Molecular Formula
C4H4INO2
SMILES
C1CC(=O)N(C1=O)I
InChI
InChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2
InChIKey
LQZMLBORDGWNPD-UHFFFAOYSA-N
Compound name
1-iodopyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

64
References

60383
Patents

224.92868 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.935956 124.1
[M+Na]+ 247.917898 126.5
[M-H]- 223.921404 119.9
[M+NH4]+ 242.962503 142.1
[M+K]+ 263.891838 131.7
[M+H-H2O]+ 207.925940 115.5
[M+HCOO]- 269.926881 142.4
[M+CH3COO]- 283.942531 176.4
[M+Na-2H]- 245.903346 117.1
[M]+ 224.92813142 120.5
[M]- 224.92922858 120.5
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