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]+ 323.03488 169.2
[M+Na]+ 345.01682 184.0
[M+NH4]+ 340.06142 177.2
[M+K]+ 360.99076 180.0
[M-H]- 321.02032 174.2
[M+Na-2H]- 343.00227 176.6
[M]+ 322.02705 173.3
[M]- 322.02815 173.3
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