CID 2778359

74359-06-1

Structural Information

Molecular Formula

C₆H₃F₇O₂

SMILES

C=C(C(=O)OC(C(F)(F)F)C(F)(F)F)F

InChI

InChI=1S/C6H3F7O2/c1-2(7)3(14)15-4(5(8,9)10)6(11,12)13/h4H,1H2

InChIKey

RNMOMNJMYZWWGF-UHFFFAOYSA-N

Compound name

1,1,1,3,3,3-hexafluoropropan-2-yl 2-fluoroprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 181
Patents: 240.00212 Da
Monoisotopic Mass: 3.3
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]+	241.00940	138.3
[M+Na]+	262.99134	146.9
[M-H]-	238.99484	130.2
[M+NH4]+	258.03594	155.5
[M+K]+	278.96528	145.7
[M+H-H2O]+	222.99938	128.8
[M+HCOO]-	285.00032	149.6
[M+CH3COO]-	299.01597	190.6
[M+Na-2H]-	260.97679	139.4
[M]+	240.00157	128.7
[M]-	240.00267	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe