CID 16228111

923813-54-1

Structural Information

Molecular Formula

C₁₁H₉F₃N₂S

SMILES

C1=CC(=CC=C1CC2=CN=C(S2)N)C(F)(F)F

InChI

InChI=1S/C11H9F3N2S/c12-11(13,14)8-3-1-7(2-4-8)5-9-6-16-10(15)17-9/h1-4,6H,5H2,(H2,15,16)

InChIKey

QAXYHOZZNWVALP-UHFFFAOYSA-N

Compound name

5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 258.04385 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]+	259.05113	150.5
[M+Na]+	281.03307	160.6
[M-H]-	257.03657	152.4
[M+NH4]+	276.07767	168.3
[M+K]+	297.00701	155.2
[M+H-H2O]+	241.04111	141.3
[M+HCOO]-	303.04205	166.1
[M+CH3COO]-	317.05770	193.6
[M+Na-2H]-	279.01852	151.6
[M]+	258.04330	147.6
[M]-	258.04440	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe