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

72
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 128.5
[M+Na]+ 190.01424 141.4
[M-H]- 166.01774 129.4
[M+NH4]+ 185.05884 145.8
[M+K]+ 205.98818 137.6
[M+H-H2O]+ 150.02228 115.8
[M+HCOO]- 212.02322 143.2
[M+CH3COO]- 226.03887 191.6
[M+Na-2H]- 187.99969 134.9
[M]+ 167.02447 126.0
[M]- 167.02557 126.0
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