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

24
Patents

254.89479 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.902066 127.8
[M+Na]+ 277.884008 131.8
[M-H]- 253.887514 122.5
[M+NH4]+ 272.928613 143.4
[M+K]+ 293.857948 133.6
[M+H-H2O]+ 237.892050 119.6
[M+HCOO]- 299.892991 141.6
[M+CH3COO]- 313.908641 178.6
[M+Na-2H]- 275.869456 123.6
[M]+ 254.89424142 125.8
[M]- 254.89533858 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