CID 334016

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

Structural Information

Molecular Formula
C7H6ClN3
SMILES
CC1=C(N=NC(=C1C#N)Cl)C
InChI
InChI=1S/C7H6ClN3/c1-4-5(2)10-11-7(8)6(4)3-9/h1-2H3
InChIKey
AOOOVEFJANVAOL-UHFFFAOYSA-N
Compound name
3-chloro-5,6-dimethylpyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

167.02502 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 130.1
[M+Na]+ 190.01424 144.7
[M+NH4]+ 185.05884 135.3
[M+K]+ 205.98818 135.0
[M-H]- 166.01774 124.6
[M+Na-2H]- 187.99969 135.2
[M]+ 167.02447 130.1
[M]- 167.02557 130.1
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