CID 20086717

133046-48-7

Structural Information

Molecular Formula

C₅H₂F₃NOS

SMILES

C1=C(N=C(S1)C(F)(F)F)C=O

InChI

InChI=1S/C5H2F3NOS/c6-5(7,8)4-9-3(1-10)2-11-4/h1-2H

InChIKey

KOEUGSAJYCOTJL-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 180.98093 Da
Monoisotopic Mass: 1.7
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]+	181.98821	139.7
[M+Na]+	203.97015	147.6
[M+NH4]+	199.01475	145.5
[M+K]+	219.94409	142.9
[M-H]-	179.97365	135.6
[M+Na-2H]-	201.95560	142.1
[M]+	180.98038	139.7
[M]-	180.98148	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe