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

6
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 136.0
[M+Na]+ 360.85568 128.1
[M-H]- 336.85918 127.7
[M+NH4]+ 355.90028 147.0
[M+K]+ 376.82962 140.2
[M+H-H2O]+ 320.86372 125.5
[M+HCOO]- 382.86466 145.3
[M+CH3COO]- 396.88031 193.4
[M+Na-2H]- 358.84113 126.0
[M]+ 337.86591 128.6
[M]- 337.86701 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