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 136.4
[M+Na]+ 218.04554 148.6
[M-H]- 194.04904 137.1
[M+NH4]+ 213.09014 152.8
[M+K]+ 234.01948 144.3
[M+H-H2O]+ 178.05358 123.4
[M+HCOO]- 240.05452 150.5
[M+CH3COO]- 254.07017 197.0
[M+Na-2H]- 216.03099 141.9
[M]+ 195.05577 134.6
[M]- 195.05687 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.