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 134.7
[M+Na]+ 202.01424 147.4
[M-H]- 178.01774 135.6
[M+NH4]+ 197.05884 153.6
[M+K]+ 217.98818 141.3
[M+H-H2O]+ 162.02228 121.4
[M+HCOO]- 224.02322 148.3
[M+CH3COO]- 238.03887 146.7
[M+Na-2H]- 199.99969 140.4
[M]+ 179.02447 130.5
[M]- 179.02557 130.5
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.