CID 68281854

1384199-31-8

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4HClF3NS/c5-3-9-1-2(10-3)4(6,7)8/h1H

InChIKey

FPKYGHLOEYILOW-UHFFFAOYSA-N

Compound name

2-chloro-5-(trifluoromethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 186.94704 Da
Monoisotopic Mass: 2.8
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]+	187.95432	126.3
[M+Na]+	209.93626	138.2
[M-H]-	185.93976	125.8
[M+NH4]+	204.98086	148.3
[M+K]+	225.91020	134.4
[M+H-H2O]+	169.94430	119.5
[M+HCOO]-	231.94524	137.4
[M+CH3COO]-	245.96089	175.9
[M+Na-2H]-	207.92171	129.0
[M]+	186.94649	126.0
[M]-	186.94759	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe