CID 15270028

3-iodo-4-methoxy-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula
C5H5IO3
SMILES
COC1=C(C(=O)OC1)I
InChI
InChI=1S/C5H5IO3/c1-8-3-2-9-5(7)4(3)6/h2H2,1H3
InChIKey
PYSXECJZTJUSIO-UHFFFAOYSA-N
Compound name
4-iodo-3-methoxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.92834 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.93562 131.4
[M+Na]+ 262.91756 134.1
[M-H]- 238.92106 129.3
[M+NH4]+ 257.96216 149.0
[M+K]+ 278.89150 140.6
[M+H-H2O]+ 222.92560 123.5
[M+HCOO]- 284.92654 151.0
[M+CH3COO]- 298.94219 179.1
[M+Na-2H]- 260.90301 125.5
[M]+ 239.92779 131.5
[M]- 239.92889 131.5
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

No patent data available for this compound.