CID 15388849

169260-97-3

Structural Information

Molecular Formula

C₄H₃F₃N₂S

SMILES

C1=C(SC(=N1)N)C(F)(F)F

InChI

InChI=1S/C4H3F3N2S/c5-4(6,7)2-1-9-3(8)10-2/h1H,(H2,8,9)

InChIKey

DMGAMZGETZDLBL-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 167.9969 Da
Monoisotopic Mass: 1.5
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]+	169.00418	125.0
[M+Na]+	190.98612	135.5
[M-H]-	166.98962	123.9
[M+NH4]+	186.03072	146.3
[M+K]+	206.96006	132.8
[M+H-H2O]+	150.99416	117.1
[M+HCOO]-	212.99510	141.0
[M+CH3COO]-	227.01075	176.0
[M+Na-2H]-	188.97157	127.6
[M]+	167.99635	121.2
[M]-	167.99745	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe