CID 12180888

4-cyano-3,5-diiodopyridine

Structural Information

Molecular Formula
C6H2I2N2
SMILES
C1=C(C(=C(C=N1)I)C#N)I
InChI
InChI=1S/C6H2I2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
InChIKey
CKTZXTXSOCLOBD-UHFFFAOYSA-N
Compound name
3,5-diiodopyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.83075 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.83803 141.5
[M+Na]+ 378.81997 140.0
[M+NH4]+ 373.86457 139.3
[M+K]+ 394.79391 138.5
[M-H]- 354.82347 127.7
[M+Na-2H]- 376.80542 128.0
[M]+ 355.83020 135.1
[M]- 355.83130 135.1
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.