CID 55137159

2-(3-chlorophenyl)-2h,3h,3ah,4h,5h,6h-cyclopenta[c]pyrazol-3-one

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
C1CC2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C1
InChI
InChI=1S/C12H11ClN2O/c13-8-3-1-4-9(7-8)15-12(16)10-5-2-6-11(10)14-15/h1,3-4,7,10H,2,5-6H2
InChIKey
ZHJFENNMPNDNBM-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06326 152.1
[M+Na]+ 257.04520 162.5
[M-H]- 233.04870 157.3
[M+NH4]+ 252.08980 172.7
[M+K]+ 273.01914 157.2
[M+H-H2O]+ 217.05324 144.9
[M+HCOO]- 279.05418 168.6
[M+CH3COO]- 293.06983 165.0
[M+Na-2H]- 255.03065 153.6
[M]+ 234.05543 152.8
[M]- 234.05653 152.8
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.