CID 18942137

80841-79-8

Structural Information

Molecular Formula

SMILES

CC1=C(OC(=O)O1)CI

InChI

InChI=1S/C5H5IO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3

InChIKey

SMTDIEBUWFHPON-UHFFFAOYSA-N

Compound name

4-(iodomethyl)-5-methyl-1,3-dioxol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 239.92834 Da
Monoisotopic Mass: 1.7
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]+	240.93562	132.0
[M+Na]+	262.91756	135.8
[M-H]-	238.92106	130.9
[M+NH4]+	257.96216	148.6
[M+K]+	278.89150	142.9
[M+H-H2O]+	222.92560	124.3
[M+HCOO]-	284.92654	152.0
[M+CH3COO]-	298.94219	179.0
[M+Na-2H]-	260.90301	127.8
[M]+	239.92779	134.0
[M]-	239.92889	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe