CID 71755952

3-chloro-5,6-diethylpyridazine-4-carbonitrile

Structural Information

Molecular Formula
C9H10ClN3
SMILES
CCC1=C(N=NC(=C1C#N)Cl)CC
InChI
InChI=1S/C9H10ClN3/c1-3-6-7(5-11)9(10)13-12-8(6)4-2/h3-4H2,1-2H3
InChIKey
OIBTWUFVGWOCDY-UHFFFAOYSA-N
Compound name
3-chloro-5,6-diethylpyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05632 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06360 138.3
[M+Na]+ 218.04554 152.5
[M+NH4]+ 213.09014 143.2
[M+K]+ 234.01948 142.4
[M-H]- 194.04904 132.7
[M+Na-2H]- 216.03099 142.9
[M]+ 195.05577 138.3
[M]- 195.05687 138.3
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.