CID 138563806

4,4-diiodooxane

Structural Information

Molecular Formula
C5H8I2O
SMILES
C1COCCC1(I)I
InChI
InChI=1S/C5H8I2O/c6-5(7)1-3-8-4-2-5/h1-4H2
InChIKey
MUAWLCMXMFBCHJ-UHFFFAOYSA-N
Compound name
4,4-diiodooxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

337.86646 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.87374 134.8
[M+Na]+ 360.85568 130.5
[M+NH4]+ 355.90028 136.0
[M+K]+ 376.82962 131.3
[M-H]- 336.85918 126.0
[M+Na-2H]- 358.84113 120.8
[M]+ 337.86591 129.9
[M]- 337.86701 129.9
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