CID 2782526

96250-35-0

Structural Information

Molecular Formula

C₆H₄F₆O₂

SMILES

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

InChI

InChI=1S/C6H4F6O2/c1-3(7)4(13)14-2-5(8,9)6(10,11)12/h1-2H2

InChIKey

KOEWOWNPLYLJOW-UHFFFAOYSA-N

Compound name

2,2,3,3,3-pentafluoropropyl 2-fluoroprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 222.01155 Da
Monoisotopic Mass: 2.8
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]+	223.01883	136.2
[M+Na]+	245.00077	144.8
[M-H]-	221.00427	129.1
[M+NH4]+	240.04537	154.1
[M+K]+	260.97471	143.5
[M+H-H2O]+	205.00881	127.4
[M+HCOO]-	267.00975	149.4
[M+CH3COO]-	281.02540	187.4
[M+Na-2H]-	242.98622	138.9
[M]+	222.01100	128.6
[M]-	222.01210	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe