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: 31
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	136.2
[M+Na]+	224.94715	144.1
[M+NH4]+	219.99175	142.4
[M+K]+	240.92109	139.7
[M-H]-	200.95065	132.8
[M+Na-2H]-	222.93260	139.0
[M]+	201.95738	136.6
[M]-	201.95848	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe