CID 22106690

174824-73-8

Structural Information

Molecular Formula

C₆H₄F₃NOS

SMILES

CC1=CSC(=N1)C(=O)C(F)(F)F

InChI

InChI=1S/C6H4F3NOS/c1-3-2-12-5(10-3)4(11)6(7,8)9/h2H,1H3

InChIKey

SUEUWJYPFFATSA-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 194.99657 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]+	196.00385	143.8
[M+Na]+	217.98579	151.2
[M+NH4]+	213.03039	149.3
[M+K]+	233.95973	147.0
[M-H]-	193.98929	139.5
[M+Na-2H]-	215.97124	145.7
[M]+	194.99602	143.7
[M]-	194.99712	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe