CID 2735955

777-12-8

Structural Information

Molecular Formula

C₈H₅F₃N₂S

SMILES

C1=CC2=C(C=C1C(F)(F)F)SC(=N2)N

InChI

InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)

InChIKey

WEDYEBJLWMPPOK-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 402
Patents: 218.01256 Da
Monoisotopic Mass: 2.9
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]+	219.01984	141.4
[M+Na]+	241.00178	150.7
[M+NH4]+	236.04638	148.2
[M+K]+	256.97572	145.4
[M-H]-	217.00528	139.2
[M+Na-2H]-	238.98723	145.5
[M]+	218.01201	142.3
[M]-	218.01311	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe