CID 120237

Propanoyl fluoride, 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)-

Structural Information

Molecular Formula

C₄F₈O₂

SMILES

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

InChI

InChI=1S/C4F8O2/c5-1(13)2(6,7)3(8,9)14-4(10,11)12

InChIKey

ZAKJNULOUJTZMO-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl fluoride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 106
Patents: 231.97705 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]+	232.98433	133.9
[M+Na]+	254.96627	143.6
[M-H]-	230.96977	124.9
[M+NH4]+	250.01087	151.2
[M+K]+	270.94021	142.6
[M+H-H2O]+	214.97431	124.0
[M+HCOO]-	276.97525	144.8
[M+CH3COO]-	290.99090	188.9
[M+Na-2H]-	252.95172	138.6
[M]+	231.97650	123.5
[M]-	231.97760	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe