CID 5019322

380196-88-3

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.