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: 1699
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]+	354.83226	142.5
[M+Na]+	376.81420	136.6
[M+NH4]+	371.85880	140.4
[M+K]+	392.78814	139.9
[M-H]-	352.81770	129.4
[M+Na-2H]-	374.79965	124.6
[M]+	353.82443	135.7
[M]-	353.82553	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe