CID 2733254

Iodoacetic anhydride

Structural Information

Molecular Formula

C₄H₄I₂O₃

SMILES

C(C(=O)OC(=O)CI)I

InChI

InChI=1S/C4H4I2O3/c5-1-3(7)9-4(8)2-6/h1-2H2

InChIKey

RBNSZWOCWHGHMR-UHFFFAOYSA-N

Compound name

(2-iodoacetyl) 2-iodoacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1693
Patents: 353.82498 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	354.832256	138.8
[M+Na]+	376.814198	132.1
[M-H]-	352.817704	128.4
[M+NH4]+	371.858803	149.1
[M+K]+	392.788138	144.1
[M+H-H2O]+	336.822240	128.5
[M+HCOO]-	398.823181	150.5
[M+CH3COO]-	412.838831	196.3
[M+Na-2H]-	374.799646	125.7
[M]+	353.82443142	136.1
[M]-	353.82552858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe