CID 55220260

1-(3-chlorophenyl)-3-cyclopropyl-4,5-dihydro-1h-pyrazol-5-one

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
C1CC1C2=NN(C(=O)C2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C12H11ClN2O/c13-9-2-1-3-10(6-9)15-12(16)7-11(14-15)8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKey
UGYSZRFVNVNVBR-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 152.2
[M+Na]+ 257.04520 163.8
[M-H]- 233.04870 159.8
[M+NH4]+ 252.08980 165.2
[M+K]+ 273.01914 157.6
[M+H-H2O]+ 217.05324 144.1
[M+HCOO]- 279.05418 170.0
[M+CH3COO]- 293.06983 164.7
[M+Na-2H]- 255.03065 154.8
[M]+ 234.05543 155.3
[M]- 234.05653 155.3
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

patents stripe