CID 75487723

6-bromo-3-iodopyridin-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.84427 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.85155 133.9
[M+Na]+ 321.83349 140.5
[M-H]- 297.83699 131.8
[M+NH4]+ 316.87809 150.7
[M+K]+ 337.80743 135.1
[M+H-H2O]+ 281.84153 130.8
[M+HCOO]- 343.84247 150.0
[M+CH3COO]- 357.85812 185.1
[M+Na-2H]- 319.81894 131.6
[M]+ 298.84372 147.9
[M]- 298.84482 147.9
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

No patent data available for this compound.