CID 599371

4,6-dichloropyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C5HCl2N3
SMILES
C1=NC(=C(C(=N1)Cl)C#N)Cl
InChI
InChI=1S/C5HCl2N3/c6-4-3(1-8)5(7)10-2-9-4/h2H
InChIKey
IPEBKIMUIHKZJP-UHFFFAOYSA-N
Compound name
4,6-dichloropyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

172.95476 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.96204 127.4
[M+Na]+ 195.94398 142.2
[M+NH4]+ 190.98858 132.9
[M+K]+ 211.91792 132.3
[M-H]- 171.94748 121.9
[M+Na-2H]- 193.92943 133.1
[M]+ 172.95421 127.7
[M]- 172.95531 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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