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

5
Patents

337.86646 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.873736 136.0
[M+Na]+ 360.855678 128.1
[M-H]- 336.859184 127.7
[M+NH4]+ 355.900283 147.0
[M+K]+ 376.829618 140.2
[M+H-H2O]+ 320.863720 125.5
[M+HCOO]- 382.864661 145.3
[M+CH3COO]- 396.880311 193.4
[M+Na-2H]- 358.841126 126.0
[M]+ 337.86591142 128.6
[M]- 337.86700858 128.6
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