CID 50989285

4-iodo-2,3-dimethoxypyridine

Structural Information

Molecular Formula
C7H8INO2
SMILES
COC1=C(C=CN=C1OC)I
InChI
InChI=1S/C7H8INO2/c1-10-6-5(8)3-4-9-7(6)11-2/h3-4H,1-2H3
InChIKey
SOLADHVMMXSYGT-UHFFFAOYSA-N
Compound name
4-iodo-2,3-dimethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.96 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.96728 137.9
[M+Na]+ 287.94922 140.5
[M-H]- 263.95272 133.8
[M+NH4]+ 282.99382 153.0
[M+K]+ 303.92316 145.5
[M+H-H2O]+ 247.95726 128.1
[M+HCOO]- 309.95820 156.8
[M+CH3COO]- 323.97385 185.8
[M+Na-2H]- 285.93467 133.2
[M]+ 264.95945 138.6
[M]- 264.96055 138.6
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.