CID 58053654

1226878-99-4

Structural Information

Molecular Formula
C5H3ClINO
SMILES
C1=C(NC=C(C1=O)I)Cl
InChI
InChI=1S/C5H3ClINO/c6-5-1-4(9)3(7)2-8-5/h1-2H,(H,8,9)
InChIKey
XTJOJBYGTOMUCD-UHFFFAOYSA-N
Compound name
2-chloro-5-iodo-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

254.89479 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.90207 127.8
[M+Na]+ 277.88401 131.8
[M-H]- 253.88751 122.5
[M+NH4]+ 272.92861 143.4
[M+K]+ 293.85795 133.6
[M+H-H2O]+ 237.89205 119.6
[M+HCOO]- 299.89299 141.6
[M+CH3COO]- 313.90864 178.6
[M+Na-2H]- 275.86946 123.6
[M]+ 254.89424 125.8
[M]- 254.89534 125.8
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