CID 21752

Iopydone

Structural Information

Molecular Formula
C5H3I2NO
SMILES
C1=C(C(=O)C(=CN1)I)I
InChI
InChI=1S/C5H3I2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
InChIKey
FRPFEVLOFNAKBS-UHFFFAOYSA-N
Compound name
3,5-diiodo-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

396
Patents

346.8304 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.83768 133.4
[M+Na]+ 369.81962 128.5
[M-H]- 345.82312 123.4
[M+NH4]+ 364.86422 142.6
[M+K]+ 385.79356 137.9
[M+H-H2O]+ 329.82766 122.1
[M+HCOO]- 391.82860 144.8
[M+CH3COO]- 405.84425 194.0
[M+Na-2H]- 367.80507 123.0
[M]+ 346.82985 127.7
[M]- 346.83095 127.7
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