CID 56935837

Ethyl 3,3-diiodoacrylate

Structural Information

Molecular Formula

C₅H₆I₂O₂

SMILES

CCOC(=O)C=C(I)I

InChI

InChI=1S/C5H6I2O2/c1-2-9-5(8)3-4(6)7/h3H,2H2,1H3

InChIKey

ULBLUKDUPXNGMA-UHFFFAOYSA-N

Compound name

ethyl 3,3-diiodoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 351.84573 Da
Monoisotopic Mass: 2.5
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]+	352.85301	138.6
[M+Na]+	374.83495	131.7
[M-H]-	350.83845	128.2
[M+NH4]+	369.87955	149.1
[M+K]+	390.80889	143.1
[M+H-H2O]+	334.84299	128.4
[M+HCOO]-	396.84393	149.9
[M+CH3COO]-	410.85958	197.1
[M+Na-2H]-	372.82040	125.3
[M]+	351.84518	135.1
[M]-	351.84628	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.