CID 12370915

3,6-dichloropyridazine-4-carbonitrile

Structural Information

Molecular Formula
C5HCl2N3
SMILES
C1=C(C(=NN=C1Cl)Cl)C#N
InChI
InChI=1S/C5HCl2N3/c6-4-1-3(2-8)5(7)10-9-4/h1H
InChIKey
PEVHRZSJJSZRFC-UHFFFAOYSA-N
Compound name
3,6-dichloropyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

172.95476 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe