CID 2776807

243139-64-2

Structural Information

Molecular Formula

C₆H₃F₇O₂

SMILES

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

InChI

InChI=1S/C6H3F7O2/c7-4(5(8,9)10,6(11,12)13)2-1-3(14)15/h1-2H,(H,14,15)

InChIKey

PRHNILJSRYVRAY-UHFFFAOYSA-N

Compound name

4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 240.00212 Da
Monoisotopic Mass: 2.5
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]+	241.00940	139.4
[M+Na]+	262.99134	148.3
[M-H]-	238.99484	130.0
[M+NH4]+	258.03594	156.0
[M+K]+	278.96528	145.8
[M+H-H2O]+	222.99938	130.5
[M+HCOO]-	285.00032	149.5
[M+CH3COO]-	299.01597	186.8
[M+Na-2H]-	260.97679	143.2
[M]+	240.00157	128.4
[M]-	240.00267	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe