CID 15171127

(2-(trifluoromethyl)thiazol-5-yl)methanol

Structural Information

Molecular Formula

C₅H₄F₃NOS

SMILES

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

InChI

InChI=1S/C5H4F3NOS/c6-5(7,8)4-9-1-3(2-10)11-4/h1,10H,2H2

InChIKey

CJKBHQFTYWBAQP-UHFFFAOYSA-N

Compound name

[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 182.99657 Da
Monoisotopic Mass: 1.0
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	139.1
[M+Na]+	205.98579	146.5
[M+NH4]+	201.03039	144.9
[M+K]+	221.95973	142.2
[M-H]-	181.98929	134.8
[M+Na-2H]-	203.97124	141.2
[M]+	182.99602	139.0
[M]-	182.99712	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe