CID 82007140

3-(2,2-difluoroethoxy)propanal

Structural Information

Molecular Formula

C₅H₈F₂O₂

SMILES

C(COCC(F)F)C=O

InChI

InChI=1S/C5H8F2O2/c6-5(7)4-9-3-1-2-8/h2,5H,1,3-4H2

InChIKey

AHTNTCOLJAREJG-UHFFFAOYSA-N

Compound name

3-(2,2-difluoroethoxy)propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 138.04924 Da
Monoisotopic Mass: 0.4
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]+	139.05652	128.6
[M+Na]+	161.03846	137.0
[M+NH4]+	156.08306	134.7
[M+K]+	177.01240	132.1
[M-H]-	137.04196	124.7
[M+Na-2H]-	159.02391	130.8
[M]+	138.04869	128.2
[M]-	138.04979	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe