CID 49761589

2-bromo-5-iodo-3-methoxypyridin-4-ol

Structural Information

Molecular Formula
C6H5BrINO2
SMILES
COC1=C(NC=C(C1=O)I)Br
InChI
InChI=1S/C6H5BrINO2/c1-11-5-4(10)3(8)2-9-6(5)7/h2H,1H3,(H,9,10)
InChIKey
GNJNQRZEUIQCQS-UHFFFAOYSA-N
Compound name
2-bromo-5-iodo-3-methoxy-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.85483 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.86211 141.4
[M+Na]+ 351.84405 148.2
[M-H]- 327.84755 139.4
[M+NH4]+ 346.88865 157.3
[M+K]+ 367.81799 143.0
[M+H-H2O]+ 311.85209 137.9
[M+HCOO]- 373.85303 157.3
[M+CH3COO]- 387.86868 190.6
[M+Na-2H]- 349.82950 137.8
[M]+ 328.85428 157.3
[M]- 328.85538 157.3
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.