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]+ 180.032296 134.7
[M+Na]+ 202.014238 147.4
[M-H]- 178.017744 135.6
[M+NH4]+ 197.058843 153.6
[M+K]+ 217.988178 141.3
[M+H-H2O]+ 162.022280 121.4
[M+HCOO]- 224.023221 148.3
[M+CH3COO]- 238.038871 146.7
[M+Na-2H]- 199.999686 140.4
[M]+ 179.02447142 130.5
[M]- 179.02556858 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.