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

66
Patents

167.02502 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 128.5
[M+Na]+ 190.014238 141.4
[M-H]- 166.017744 129.4
[M+NH4]+ 185.058843 145.8
[M+K]+ 205.988178 137.6
[M+H-H2O]+ 150.022280 115.8
[M+HCOO]- 212.023221 143.2
[M+CH3COO]- 226.038871 191.6
[M+Na-2H]- 187.999686 134.9
[M]+ 167.02447142 126.0
[M]- 167.02556858 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