CID 124367

58109-33-4

Structural Information

Molecular Formula

C₅H₆F₆O₂

SMILES

COC(C(C(F)(F)F)OCF)(F)F

InChI

InChI=1S/C5H6F6O2/c1-12-5(10,11)3(13-2-6)4(7,8)9/h3H,2H2,1H3

InChIKey

GIRCVFXPLMQPGW-UHFFFAOYSA-N

Compound name

1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 212.02719 Da
Monoisotopic Mass: 2.3
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]+	213.034466	135.3
[M+Na]+	235.016408	143.8
[M-H]-	211.019914	128.2
[M+NH4]+	230.061013	153.8
[M+K]+	250.990348	143.5
[M+H-H2O]+	195.024450	126.3
[M+HCOO]-	257.025391	149.4
[M+CH3COO]-	271.041041	186.2
[M+Na-2H]-	233.001856	139.6
[M]+	212.02664142	129.5
[M]-	212.02773858	129.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.