CID 706457

172848-41-8

Structural Information

Molecular Formula

C₁₀H₇F₃N₂S

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CSC(=N2)N

InChI

InChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-5H,(H2,14,15)

InChIKey

ZZDBATBJNFVJCB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 172
Patents: 244.0282 Da
Monoisotopic Mass: 3.2
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]+	245.03548	151.3
[M+Na]+	267.01742	160.3
[M+NH4]+	262.06202	157.7
[M+K]+	282.99136	154.8
[M-H]-	243.02092	150.4
[M+Na-2H]-	265.00287	156.5
[M]+	244.02765	152.5
[M]-	244.02875	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe