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]+ 235.063256 152.1
[M+Na]+ 257.045198 162.5
[M-H]- 233.048704 157.3
[M+NH4]+ 252.089803 172.7
[M+K]+ 273.019138 157.2
[M+H-H2O]+ 217.053240 144.9
[M+HCOO]- 279.054181 168.6
[M+CH3COO]- 293.069831 165.0
[M+Na-2H]- 255.030646 153.6
[M]+ 234.05543142 152.8
[M]- 234.05652858 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.