CID 9897

433-27-2

Structural Information

Molecular Formula

C₄H₇F₃O₂

SMILES

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

InChI

InChI=1S/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3

InChIKey

KLXJPQNHFFMLIG-UHFFFAOYSA-N

Compound name

1-ethoxy-2,2,2-trifluoroethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1185
Patents: 144.03981 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]+	145.047086	123.7
[M+Na]+	167.029028	131.6
[M-H]-	143.032534	119.0
[M+NH4]+	162.073633	144.5
[M+K]+	183.002968	131.6
[M+H-H2O]+	127.037070	117.5
[M+HCOO]-	189.038011	141.4
[M+CH3COO]-	203.053661	171.2
[M+Na-2H]-	165.014476	129.0
[M]+	144.03926142	120.2
[M]-	144.04035858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe