CID 12836365

Bis(2,2,2-trifluoroethoxy)methanethione

Structural Information

Molecular Formula

C₅H₄F₆O₂S

SMILES

C(C(F)(F)F)OC(=S)OCC(F)(F)F

InChI

InChI=1S/C5H4F6O2S/c6-4(7,8)1-12-3(14)13-2-5(9,10)11/h1-2H2

InChIKey

KLHBTFFZKRVEHH-UHFFFAOYSA-N

Compound name

bis(2,2,2-trifluoroethoxy)methanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 241.98361 Da
Monoisotopic Mass: 3.3
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]+	242.99089	166.4
[M+Na]+	264.97283	169.1
[M+NH4]+	260.01743	168.0
[M+K]+	280.94677	164.9
[M-H]-	240.97633	157.7
[M+Na-2H]-	262.95828	164.1
[M]+	241.98306	164.1
[M]-	241.98416	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe