CID 72214384

1257329-71-7

Structural Information

Molecular Formula

C₅H₅F₃N₂S

SMILES

CC1=C(SC(=N1)N)C(F)(F)F

InChI

InChI=1S/C5H5F3N2S/c1-2-3(5(6,7)8)11-4(9)10-2/h1H3,(H2,9,10)

InChIKey

URIRTMPDHCZFSA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 182.01256 Da
Monoisotopic Mass: 1.9
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]+	183.01984	137.9
[M+Na]+	205.00178	145.1
[M+NH4]+	200.04638	143.8
[M+K]+	220.97572	140.9
[M-H]-	181.00528	134.5
[M+Na-2H]-	202.98723	140.2
[M]+	182.01201	138.0
[M]-	182.01311	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe