CID 7131976

2490398-65-5

Structural Information

Molecular Formula

C₁₀H₉F₃N₂S

SMILES

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CCN

InChI

InChI=1S/C10H9F3N2S/c11-10(12,13)6-1-2-8-7(5-6)15-9(16-8)3-4-14/h1-2,5H,3-4,14H2

InChIKey

ORMPPQIXDBKVSI-UHFFFAOYSA-N

Compound name

2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 246.04385 Da
Monoisotopic Mass: 2.6
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]+	247.05113	149.7
[M+Na]+	269.03307	158.6
[M+NH4]+	264.07767	156.2
[M+K]+	285.00701	152.9
[M-H]-	245.03657	147.4
[M+Na-2H]-	267.01852	153.4
[M]+	246.04330	150.5
[M]-	246.04440	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe