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]+ 196.063596 136.4
[M+Na]+ 218.045538 148.6
[M-H]- 194.049044 137.1
[M+NH4]+ 213.090143 152.8
[M+K]+ 234.019478 144.3
[M+H-H2O]+ 178.053580 123.4
[M+HCOO]- 240.054521 150.5
[M+CH3COO]- 254.070171 197.0
[M+Na-2H]- 216.030986 141.9
[M]+ 195.05577142 134.6
[M]- 195.05686858 134.6
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.