CID 13636536

3-iodopyridin-2(1h)-one

Structural Information

Molecular Formula
C5H4INO
SMILES
C1=CNC(=O)C(=C1)I
InChI
InChI=1S/C5H4INO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKey
YEMFHJFNJPXYOE-UHFFFAOYSA-N
Compound name
3-iodo-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

251
Patents

220.93376 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.94104 126.4
[M+Na]+ 243.92298 132.3
[M+NH4]+ 238.96758 130.6
[M+K]+ 259.89692 129.6
[M-H]- 219.92648 121.5
[M+Na-2H]- 241.90843 121.4
[M]+ 220.93321 124.7
[M]- 220.93431 124.7
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