CID 24729486

1000342-88-0

Structural Information

Molecular Formula
C6H6I2N2
SMILES
CC1=NC(=C(C=C1I)I)N
InChI
InChI=1S/C6H6I2N2/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3,(H2,9,10)
InChIKey
BSXUGYBTSPNQDE-UHFFFAOYSA-N
Compound name
3,5-diiodo-6-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.86203 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.86931 141.4
[M+Na]+ 382.85125 136.5
[M-H]- 358.85475 132.4
[M+NH4]+ 377.89585 150.6
[M+K]+ 398.82519 146.1
[M+H-H2O]+ 342.85929 129.7
[M+HCOO]- 404.86023 153.7
[M+CH3COO]- 418.87588 201.7
[M+Na-2H]- 380.83670 129.5
[M]+ 359.86148 135.9
[M]- 359.86258 135.9
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

patents stripe