CID 25323371

2-chloro-n-[1-(4-fluorophenyl)-3-methyl-1h-pyrazol-5-yl]acetamide

Structural Information

Molecular Formula

C₁₂H₁₁ClFN₃O

SMILES

CC1=NN(C(=C1)NC(=O)CCl)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H11ClFN3O/c1-8-6-11(15-12(18)7-13)17(16-8)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,15,18)

InChIKey

VIVUXESWFAWVSJ-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.05746 Da
Monoisotopic Mass: 2.5
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]+	268.064736	156.6
[M+Na]+	290.046678	166.7
[M-H]-	266.050184	159.9
[M+NH4]+	285.091283	173.0
[M+K]+	306.020618	161.2
[M+H-H2O]+	250.054720	147.8
[M+HCOO]-	312.055661	174.5
[M+CH3COO]-	326.071311	197.3
[M+Na-2H]-	288.032126	159.1
[M]+	267.05691142	158.2
[M]-	267.05800858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.