CID 1229692

64932-39-4

Structural Information

Molecular Formula

C₆H₅F₃N₂OS

SMILES

CC(=O)NC1=NC(=CS1)C(F)(F)F

InChI

InChI=1S/C6H5F3N2OS/c1-3(12)10-5-11-4(2-13-5)6(7,8)9/h2H,1H3,(H,10,11,12)

InChIKey

XPLIDDGPWBSSCO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 14
Patents: 210.00746 Da
Monoisotopic Mass: 1.4
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]+	211.01474	144.5
[M+Na]+	232.99668	150.8
[M+NH4]+	228.04128	149.6
[M+K]+	248.97062	147.1
[M-H]-	209.00018	140.4
[M+Na-2H]-	230.98213	146.4
[M]+	210.00691	144.1
[M]-	210.00801	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe