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

15
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 152.2
[M+Na]+ 257.045198 163.8
[M-H]- 233.048704 159.8
[M+NH4]+ 252.089803 165.2
[M+K]+ 273.019138 157.6
[M+H-H2O]+ 217.053240 144.1
[M+HCOO]- 279.054181 170.0
[M+CH3COO]- 293.069831 164.7
[M+Na-2H]- 255.030646 154.8
[M]+ 234.05543142 155.3
[M]- 234.05652858 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