CID 24999692

1037597-73-1

Structural Information

Molecular Formula

SMILES

C1=C(N=C(O1)I)I

InChI

InChI=1S/C3HI2NO/c4-2-1-7-3(5)6-2/h1H

InChIKey

VADMQUDKNXZWFT-UHFFFAOYSA-N

Compound name

2,4-diiodo-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 320.81476 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]+	321.82204	126.9
[M+Na]+	343.80398	122.3
[M-H]-	319.80748	118.5
[M+NH4]+	338.84858	137.8
[M+K]+	359.77792	134.1
[M+H-H2O]+	303.81202	115.9
[M+HCOO]-	365.81296	139.8
[M+CH3COO]-	379.82861	191.1
[M+Na-2H]-	341.78943	117.1
[M]+	320.81421	123.5
[M]-	320.81531	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe