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

96
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 126.4
[M+Na]+ 195.94398 139.6
[M-H]- 171.94748 126.5
[M+NH4]+ 190.98858 143.5
[M+K]+ 211.91792 134.8
[M+H-H2O]+ 155.95202 114.4
[M+HCOO]- 217.95296 137.0
[M+CH3COO]- 231.96861 189.5
[M+Na-2H]- 193.92943 133.6
[M]+ 172.95421 123.7
[M]- 172.95531 123.7
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