CID 2776875

Trifluoroacetaldehyde dimethyl acetal

Structural Information

Molecular Formula

C₄H₇F₃O₂

SMILES

COC(C(F)(F)F)OC

InChI

InChI=1S/C4H7F3O2/c1-8-3(9-2)4(5,6)7/h3H,1-2H3

InChIKey

CXKDYOYYYNKCRV-UHFFFAOYSA-N

Compound name

1,1,1-trifluoro-2,2-dimethoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 144.03981 Da
Monoisotopic Mass: 1.2
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	122.9
[M+Na]+	167.029028	131.4
[M-H]-	143.032534	119.8
[M+NH4]+	162.073633	144.5
[M+K]+	183.002968	132.2
[M+H-H2O]+	127.037070	116.5
[M+HCOO]-	189.038011	142.2
[M+CH3COO]-	203.053661	174.0
[M+Na-2H]-	165.014476	128.8
[M]+	144.03926142	121.4
[M]-	144.04035858	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe