CID 15171128

131748-98-6

Structural Information

Molecular Formula

C₅H₃ClF₃NS

SMILES

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

InChI

InChI=1S/C5H3ClF3NS/c6-1-3-2-10-4(11-3)5(7,8)9/h2H,1H2

InChIKey

BKPIMPPWENQHIS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 200.96268 Da
Monoisotopic Mass: 2.3
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]+	201.969956	130.9
[M+Na]+	223.951898	142.4
[M-H]-	199.955404	130.2
[M+NH4]+	218.996503	152.3
[M+K]+	239.925838	138.3
[M+H-H2O]+	183.959940	123.9
[M+HCOO]-	245.960881	141.7
[M+CH3COO]-	259.976531	178.9
[M+Na-2H]-	221.937346	133.1
[M]+	200.96213142	131.0
[M]-	200.96322858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe