CID 75274

2266-47-9

Structural Information

Molecular Formula

C₆H₈F₂O₃

SMILES

C(CF)C(=O)OC(=O)CCF

InChI

InChI=1S/C6H8F2O3/c7-3-1-5(9)11-6(10)2-4-8/h1-4H2

InChIKey

GVVLKELFMHRLEW-UHFFFAOYSA-N

Compound name

3-fluoropropanoyl 3-fluoropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 166.04414 Da
Monoisotopic Mass: 0.5
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]+	167.051416	130.3
[M+Na]+	189.033358	137.8
[M-H]-	165.036864	127.9
[M+NH4]+	184.077963	150.7
[M+K]+	205.007298	137.9
[M+H-H2O]+	149.041400	123.8
[M+HCOO]-	211.042341	151.1
[M+CH3COO]-	225.057991	177.1
[M+Na-2H]-	187.018806	133.8
[M]+	166.04359142	130.6
[M]-	166.04468858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe