CID 2121619

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-n-(2-fluorophenyl)acetamide

Structural Information

Molecular Formula

C₁₂H₁₀ClFN₂OS

SMILES

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)CCl

InChI

InChI=1S/C12H10ClFN2OS/c1-8(17)16(11-5-3-2-4-10(11)14)12-15-9(6-13)7-18-12/h2-5,7H,6H2,1H3

InChIKey

DKBWAVMTAZCTTP-UHFFFAOYSA-N

Compound name

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.01865 Da
Monoisotopic Mass: 2.7
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]+	285.025926	159.3
[M+Na]+	307.007868	169.0
[M-H]-	283.011374	165.6
[M+NH4]+	302.052473	177.6
[M+K]+	322.981808	164.4
[M+H-H2O]+	267.015910	151.7
[M+HCOO]-	329.016851	174.0
[M+CH3COO]-	343.032501	200.5
[M+Na-2H]-	304.993316	159.0
[M]+	284.01810142	163.8
[M]-	284.01919858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.