CID 45361762

2,6-diiodo-5-methoxypyridin-3-ol

Structural Information

Molecular Formula
C6H5I2NO2
SMILES
COC1=C(N=C(C(=C1)O)I)I
InChI
InChI=1S/C6H5I2NO2/c1-11-4-2-3(10)5(7)9-6(4)8/h2,10H,1H3
InChIKey
CAXKKABEHHHUEV-UHFFFAOYSA-N
Compound name
2,6-diiodo-5-methoxypyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.84097 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.84825 142.7
[M+Na]+ 399.83019 137.9
[M-H]- 375.83369 132.9
[M+NH4]+ 394.87479 151.1
[M+K]+ 415.80413 148.0
[M+H-H2O]+ 359.83823 131.1
[M+HCOO]- 421.83917 153.8
[M+CH3COO]- 435.85482 199.5
[M+Na-2H]- 397.81564 131.0
[M]+ 376.84042 139.3
[M]- 376.84152 139.3
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.