CID 12992808

362718-79-4

Structural Information

Molecular Formula

C₆H₃F₆NOS

SMILES

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

InChI

InChI=1S/C6H3F6NOS/c7-5(8,9)4(14,6(10,11)12)3-13-1-2-15-3/h1-2,14H

InChIKey

YFNPVQDQULAPPS-UHFFFAOYSA-N

Compound name

1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 250.98395 Da
Monoisotopic Mass: 2.2
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]+	251.99123	142.2
[M+Na]+	273.97317	151.9
[M-H]-	249.97667	136.1
[M+NH4]+	269.01777	159.4
[M+K]+	289.94711	148.6
[M+H-H2O]+	233.98121	132.5
[M+HCOO]-	295.98215	149.7
[M+CH3COO]-	309.99780	185.3
[M+Na-2H]-	271.95862	145.0
[M]+	250.98340	135.0
[M]-	250.98450	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe