CID 5019322

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

Structural Information

Molecular Formula
C15H12Cl2N2O2
SMILES
C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)CCl)C3=CC=CO3
InChI
InChI=1S/C15H12Cl2N2O2/c16-9-15(20)19-13(14-2-1-7-21-14)8-12(18-19)10-3-5-11(17)6-4-10/h1-7,13H,8-9H2
InChIKey
UEBPPDDUWDPSDW-UHFFFAOYSA-N
Compound name
2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.0276 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.03488 173.0
[M+Na]+ 345.01682 182.9
[M-H]- 321.02032 180.5
[M+NH4]+ 340.06142 187.8
[M+K]+ 360.99076 177.7
[M+H-H2O]+ 305.02486 164.8
[M+HCOO]- 367.02580 184.4
[M+CH3COO]- 381.04145 184.5
[M+Na-2H]- 343.00227 171.9
[M]+ 322.02705 177.3
[M]- 322.02815 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

No patent data available for this compound.