CID 145913555

4,6-diiodopyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C5HI2N3
SMILES
C1=NC(=C(C(=N1)I)C#N)I
InChI
InChI=1S/C5HI2N3/c6-4-3(1-8)5(7)10-2-9-4/h2H
InChIKey
OPXQUEGPLBDQNR-UHFFFAOYSA-N
Compound name
4,6-diiodopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.826 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.83328 130.8
[M+Na]+ 379.81522 128.3
[M-H]- 355.81872 121.3
[M+NH4]+ 374.85982 138.1
[M+K]+ 395.78916 136.8
[M+H-H2O]+ 339.82326 114.0
[M+HCOO]- 401.82420 139.9
[M+CH3COO]- 415.83985 207.7
[M+Na-2H]- 377.80067 122.4
[M]+ 356.82545 122.8
[M]- 356.82655 122.8
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.