CID 97229

61906-65-8

Structural Information

Molecular Formula

C₉H₅F₃N₂OS

SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)C(F)(F)F

InChI

InChI=1S/C9H5F3N2OS/c10-9(11,12)7(15)14-8-13-5-3-1-2-4-6(5)16-8/h1-4H,(H,13,14,15)

InChIKey

OJYXDRRHLBMRII-UHFFFAOYSA-N

Compound name

N-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 246.00746 Da
Monoisotopic Mass: 2.9
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]+	247.01474	147.9
[M+Na]+	268.99668	156.2
[M+NH4]+	264.04128	153.9
[M+K]+	284.97062	151.5
[M-H]-	245.00018	144.9
[M+Na-2H]-	266.98213	151.7
[M]+	246.00691	148.3
[M]-	246.00801	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe