CID 11383519

Dopflca n=6

Structural Information

Molecular Formula

C₆HF₁₁O₄

SMILES

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

InChI

InChI=1S/C6HF11O4/c7-2(1(18)19,3(8,9)10)20-4(11,12)5(13,14)21-6(15,16)17/h(H,18,19)

InChIKey

SMXSWZYWFAUGAD-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 345.9699 Da
Monoisotopic Mass: 3.7
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]+	346.977176	156.9
[M+Na]+	368.959118	166.0
[M-H]-	344.962624	143.5
[M+NH4]+	364.003723	145.4
[M+K]+	384.933058	164.7
[M+H-H2O]+	328.967160	145.2
[M+HCOO]-	390.968101	158.4
[M+CH3COO]-	404.983751	205.7
[M+Na-2H]-	366.944566	161.2
[M]+	345.96935142	142.3
[M]-	345.97044858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe