CID 178193

134880-91-4

Structural Information

Molecular Formula

C₄H₂ClF₃N₂S

SMILES

C1(=C(SC(=N1)N)Cl)C(F)(F)F

InChI

InChI=1S/C4H2ClF3N2S/c5-2-1(4(6,7)8)10-3(9)11-2/h(H2,9,10)

InChIKey

WYSFDPSQZUDQKO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 201.95793 Da
Monoisotopic Mass: 2.5
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]+	202.96521	130.7
[M+Na]+	224.94715	142.5
[M-H]-	200.95065	129.8
[M+NH4]+	219.99175	151.6
[M+K]+	240.92109	137.9
[M+H-H2O]+	184.95519	123.7
[M+HCOO]-	246.95613	142.0
[M+CH3COO]-	260.97178	181.0
[M+Na-2H]-	222.93260	132.2
[M]+	201.95738	128.9
[M]-	201.95848	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe