CID 119053141

2-chloro-1-[5-(3-chlorophenyl)-3-(furan-2-yl)-4,5-dihydro-1h-pyrazol-1-yl]ethan-1-one

Structural Information

Molecular Formula
C15H12Cl2N2O2
SMILES
C1C(N(N=C1C2=CC=CO2)C(=O)CCl)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H12Cl2N2O2/c16-9-15(20)19-13(10-3-1-4-11(17)7-10)8-12(18-19)14-5-2-6-21-14/h1-7,13H,8-9H2
InChIKey
VHTNWEXNIGGOLK-UHFFFAOYSA-N
Compound name
2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

322.0276 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.034876 173.0
[M+Na]+ 345.016818 182.9
[M-H]- 321.020324 180.5
[M+NH4]+ 340.061423 187.8
[M+K]+ 360.990758 177.7
[M+H-H2O]+ 305.024860 164.8
[M+HCOO]- 367.025801 184.4
[M+CH3COO]- 381.041451 184.5
[M+Na-2H]- 343.002266 171.9
[M]+ 322.02705142 177.3
[M]- 322.02814858 177.3
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