CID 10867499

33948-35-5

Structural Information

Molecular Formula
C5H5IO
SMILES
C1CC(=O)C(=C1)I
InChI
InChI=1S/C5H5IO/c6-4-2-1-3-5(4)7/h2H,1,3H2
InChIKey
IMUSDFZITNOTLJ-UHFFFAOYSA-N
Compound name
2-iodocyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

207.9385 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.94578 123.5
[M+Na]+ 230.92772 125.4
[M-H]- 206.93122 120.6
[M+NH4]+ 225.97232 143.4
[M+K]+ 246.90166 130.4
[M+H-H2O]+ 190.93576 115.6
[M+HCOO]- 252.93670 143.7
[M+CH3COO]- 266.95235 174.3
[M+Na-2H]- 228.91317 117.5
[M]+ 207.93795 120.0
[M]- 207.93905 120.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe