CID 131254254

3-chloro-5h,6h,7h-cyclopenta[c]pyridazine-4-carbonitrile

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1CC2=C(C1)N=NC(=C2C#N)Cl
InChI
InChI=1S/C8H6ClN3/c9-8-6(4-10)5-2-1-3-7(5)11-12-8/h1-3H2
InChIKey
QKYHVGHGQPHRNZ-UHFFFAOYSA-N
Compound name
3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02502 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03230 135.6
[M+Na]+ 202.01424 148.9
[M+NH4]+ 197.05884 141.5
[M+K]+ 217.98818 140.3
[M-H]- 178.01774 130.0
[M+Na-2H]- 199.99969 139.3
[M]+ 179.02447 135.3
[M]- 179.02557 135.3
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.

Patent stripe

No patent data available for this compound.