CID 20582535

4-iodopyridin-2(1h)-one

Structural Information

Molecular Formula
C5H4INO
SMILES
C1=CNC(=O)C=C1I
InChI
InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKey
POHJRJNCZQENQG-UHFFFAOYSA-N
Compound name
4-iodo-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

220.93376 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

patents stripe