CID 2761188

28781-85-3

Structural Information

Molecular Formula

C₅H₈F₂O₂

SMILES

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

InChI

InChI=1S/C5H8F2O2/c1-3-9-4(8)5(2,6)7/h3H2,1-2H3

InChIKey

ISVLDAIKRGXNCZ-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluoropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 759
Patents: 138.04924 Da
Monoisotopic Mass: 1.1
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]+	139.056516	123.4
[M+Na]+	161.038458	131.7
[M-H]-	137.041964	121.5
[M+NH4]+	156.083063	145.3
[M+K]+	177.012398	132.1
[M+H-H2O]+	121.046500	117.9
[M+HCOO]-	183.047441	143.6
[M+CH3COO]-	197.063091	173.2
[M+Na-2H]-	159.023906	129.4
[M]+	138.04869142	122.8
[M]-	138.04978858	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe