CID 61740116

2-(2,2,2-trifluoroethoxy)acetaldehyde

Structural Information

Molecular Formula

C₄H₅F₃O₂

SMILES

C(C=O)OCC(F)(F)F

InChI

InChI=1S/C4H5F3O2/c5-4(6,7)3-9-2-1-8/h1H,2-3H2

InChIKey

KOUIXWFSBUVCEK-UHFFFAOYSA-N

Compound name

2-(2,2,2-trifluoroethoxy)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 142.02417 Da
Monoisotopic Mass: 0.7
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]+	143.031446	121.3
[M+Na]+	165.013388	130.3
[M-H]-	141.016894	118.1
[M+NH4]+	160.057993	142.9
[M+K]+	180.987328	130.1
[M+H-H2O]+	125.021430	114.9
[M+HCOO]-	187.022371	141.8
[M+CH3COO]-	201.038021	172.2
[M+Na-2H]-	162.998836	128.5
[M]+	142.02362142	119.8
[M]-	142.02471858	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe