CID 45792130

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

Structural Information

Molecular Formula

C₁₃H₁₀ClF₃N₂OS

SMILES

CC(=O)N(C1=CC=C(C=C1)C(F)(F)F)C2=NC(=CS2)CCl

InChI

InChI=1S/C13H10ClF3N2OS/c1-8(20)19(12-18-10(6-14)7-21-12)11-4-2-9(3-5-11)13(15,16)17/h2-5,7H,6H2,1H3

InChIKey

RDAWMRIUYZEKHG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 334.01544 Da
Monoisotopic Mass: 3.5
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]+	335.022716	168.3
[M+Na]+	357.004658	177.9
[M-H]-	333.008164	171.9
[M+NH4]+	352.049263	184.5
[M+K]+	372.978598	172.7
[M+H-H2O]+	317.012700	159.0
[M+HCOO]-	379.013641	179.0
[M+CH3COO]-	393.029291	208.5
[M+Na-2H]-	354.990106	167.5
[M]+	334.01489142	170.4
[M]-	334.01598858	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.