CID 129982163

3-chloro-6-cyclopropylpyridazine-4-carbonitrile

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1CC1C2=NN=C(C(=C2)C#N)Cl
InChI
InChI=1S/C8H6ClN3/c9-8-6(4-10)3-7(11-12-8)5-1-2-5/h3,5H,1-2H2
InChIKey
QPZGGEHIEOWBQG-UHFFFAOYSA-N
Compound name
3-chloro-6-cyclopropylpyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02502 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032296 133.0
[M+Na]+ 202.014238 150.3
[M-H]- 178.017744 138.4
[M+NH4]+ 197.058843 146.7
[M+K]+ 217.988178 142.2
[M+H-H2O]+ 162.022280 121.7
[M+HCOO]- 224.023221 149.8
[M+CH3COO]- 238.038871 146.3
[M+Na-2H]- 199.999686 141.1
[M]+ 179.02447142 133.0
[M]- 179.02556858 133.0
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

No patent data available for this compound.