CID 2737731

4-(4-trifluoromethoxyphenyl)thiazol-2-ylamine

Structural Information

Molecular Formula

C₁₀H₇F₃N₂OS

SMILES

C1=CC(=CC=C1C2=CSC(=N2)N)OC(F)(F)F

InChI

InChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-6(2-4-7)8-5-17-9(14)15-8/h1-5H,(H2,14,15)

InChIKey

PWVLBESTTRJTFT-UHFFFAOYSA-N

Compound name

4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 86
Patents: 260.02313 Da
Monoisotopic Mass: 3.4
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]+	261.03041	149.5
[M+Na]+	283.01235	159.8
[M-H]-	259.01585	151.6
[M+NH4]+	278.05695	167.1
[M+K]+	298.98629	155.2
[M+H-H2O]+	243.02039	140.3
[M+HCOO]-	305.02133	165.6
[M+CH3COO]-	319.03698	192.6
[M+Na-2H]-	280.99780	151.3
[M]+	260.02258	147.6
[M]-	260.02368	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe