CID 11471369

318290-97-0

Structural Information

Molecular Formula

C₇H₅ClF₃NOS₂

SMILES

C1=C(SC(=N1)S(=O)CCC(=C(F)F)F)Cl

InChI

InChI=1S/C7H5ClF3NOS2/c8-5-3-12-7(14-5)15(13)2-1-4(9)6(10)11/h3H,1-2H2

InChIKey

OZKFECQBGFGHIO-UHFFFAOYSA-N

Compound name

5-chloro-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 274.9453 Da
Monoisotopic Mass: 2.4
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]+	275.95258	145.0
[M+Na]+	297.93452	154.6
[M-H]-	273.93802	143.9
[M+NH4]+	292.97912	163.1
[M+K]+	313.90846	149.1
[M+H-H2O]+	257.94256	137.8
[M+HCOO]-	319.94350	148.6
[M+CH3COO]-	333.95915	191.8
[M+Na-2H]-	295.91997	140.7
[M]+	274.94475	145.8
[M]-	274.94585	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe