CID 538005

3,3-difluoroallyl acetate

Structural Information

Molecular Formula

C₅H₆F₂O₂

SMILES

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

InChI

InChI=1S/C5H6F2O2/c1-4(8)9-3-2-5(6)7/h2H,3H2,1H3

InChIKey

SFMCWVFEKGYGMH-UHFFFAOYSA-N

Compound name

3,3-difluoroprop-2-enyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 136.03358 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]+	137.040856	122.6
[M+Na]+	159.022798	130.6
[M-H]-	135.026304	120.6
[M+NH4]+	154.067403	144.4
[M+K]+	174.996738	130.5
[M+H-H2O]+	119.030840	116.6
[M+HCOO]-	181.031781	143.6
[M+CH3COO]-	195.047431	172.1
[M+Na-2H]-	157.008246	126.7
[M]+	136.03303142	121.1
[M]-	136.03412858	121.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe