CID 50990575

1206673-52-0

Structural Information

Molecular Formula

C₅H₄F₃NOS

SMILES

C1=CSC(=N1)C(C(F)(F)F)O

InChI

InChI=1S/C5H4F3NOS/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H

InChIKey

OZYOWBJWGFJRIJ-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 182.99657 Da
Monoisotopic Mass: 1.3
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]+	184.00385	129.9
[M+Na]+	205.98579	139.1
[M-H]-	181.98929	127.6
[M+NH4]+	201.03039	150.1
[M+K]+	221.95973	136.8
[M+H-H2O]+	165.99383	122.3
[M+HCOO]-	227.99477	143.1
[M+CH3COO]-	242.01042	174.0
[M+Na-2H]-	203.97124	131.8
[M]+	182.99602	126.9
[M]-	182.99712	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe