CID 101655

337-28-0

Structural Information

Molecular Formula

C₅H₇F₅O₂

SMILES

CCOC(C(C(F)(F)F)(F)F)O

InChI

InChI=1S/C5H7F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h3,11H,2H2,1H3

InChIKey

CPCMQYHVJRQUGX-UHFFFAOYSA-N

Compound name

1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 27
Patents: 194.03662 Da
Monoisotopic Mass: 1.7
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]+	195.04390	132.9
[M+Na]+	217.02584	141.0
[M-H]-	193.02934	125.7
[M+NH4]+	212.07044	151.6
[M+K]+	232.99978	140.2
[M+H-H2O]+	177.03388	125.2
[M+HCOO]-	239.03482	146.6
[M+CH3COO]-	253.05047	180.6
[M+Na-2H]-	215.01129	137.3
[M]+	194.03607	126.5
[M]-	194.03717	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe