CID 12643052

2,2,3,3-tetrafluoropropanoic anhydride

Structural Information

Molecular Formula

C₆H₂F₈O₃

SMILES

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

InChI

InChI=1S/C6H2F8O3/c7-1(8)5(11,12)3(15)17-4(16)6(13,14)2(9)10/h1-2H

InChIKey

LBGWXMJBOPPNMV-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrafluoropropanoyl 2,2,3,3-tetrafluoropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 273.9876 Da
Monoisotopic Mass: 3.0
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]+	274.99488	143.0
[M+Na]+	296.97682	151.3
[M-H]-	272.98032	133.6
[M+NH4]+	292.02142	158.4
[M+K]+	312.95076	150.6
[M+H-H2O]+	256.98486	132.5
[M+HCOO]-	318.98580	152.5
[M+CH3COO]-	333.00145	197.0
[M+Na-2H]-	294.96227	142.6
[M]+	273.98705	132.9
[M]-	273.98815	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe