CID 3039298

2,3,3-triiodoallyl methyl ether

Structural Information

Molecular Formula
C4H5I3O
SMILES
COCC(=C(I)I)I
InChI
InChI=1S/C4H5I3O/c1-8-2-3(5)4(6)7/h2H2,1H3
InChIKey
FSKQXTSHZCQWLO-UHFFFAOYSA-N
Compound name
1,1,2-triiodo-3-methoxyprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

449.7475 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.75478 133.5
[M+Na]+ 472.73672 121.3
[M-H]- 448.74022 122.5
[M+NH4]+ 467.78132 138.6
[M+K]+ 488.71066 136.3
[M+H-H2O]+ 432.74476 123.1
[M+HCOO]- 494.74570 139.0
[M+CH3COO]- 508.76135 214.5
[M+Na-2H]- 470.72217 119.9
[M]+ 449.74695 128.4
[M]- 449.74805 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe