CID 12027787

381233-75-6

Structural Information

Molecular Formula
C5H3BrINO
SMILES
C1=C(C(=O)NC=C1Br)I
InChI
InChI=1S/C5H3BrINO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKey
WAUPPDAXWKLNNU-UHFFFAOYSA-N
Compound name
5-bromo-3-iodo-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

298.84427 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.85155 137.0
[M+Na]+ 321.83349 135.2
[M+NH4]+ 316.87809 138.1
[M+K]+ 337.80743 137.8
[M-H]- 297.83699 131.6
[M+Na-2H]- 319.81894 130.2
[M]+ 298.84372 133.1
[M]- 298.84482 133.1
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