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]+ 180.03230 136.1
[M+Na]+ 202.01424 151.2
[M+NH4]+ 197.05884 142.1
[M+K]+ 217.98818 142.7
[M-H]- 178.01774 138.0
[M+Na-2H]- 199.99969 144.1
[M]+ 179.02447 139.3
[M]- 179.02557 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.