CID 207952

31224-45-0

Structural Information

Molecular Formula

C₆H₁₁F₃O₂

SMILES

CCOC(C(F)(F)F)OCC

InChI

InChI=1S/C6H11F3O2/c1-3-10-5(11-4-2)6(7,8)9/h5H,3-4H2,1-2H3

InChIKey

MZCNVEUWTDUFAP-UHFFFAOYSA-N

Compound name

2,2-diethoxy-1,1,1-trifluoroethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 172.07112 Da
Monoisotopic Mass: 1.9
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]+	173.07840	132.5
[M+Na]+	195.06034	140.2
[M-H]-	171.06384	129.0
[M+NH4]+	190.10494	153.0
[M+K]+	211.03428	140.5
[M+H-H2O]+	155.06838	125.7
[M+HCOO]-	217.06932	151.1
[M+CH3COO]-	231.08497	180.0
[M+Na-2H]-	193.04579	137.3
[M]+	172.07057	131.8
[M]-	172.07167	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe