CID 85800696

384828-82-4

Structural Information

Molecular Formula

C₉H₉F₉O₂

SMILES

C1C(O1)COCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C9H9F9O2/c10-6(11,1-2-19-3-5-4-20-5)7(12,13)8(14,15)9(16,17)18/h5H,1-4H2

InChIKey

CMVRDQOLJDTNPX-UHFFFAOYSA-N

Compound name

2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 320.04587 Da
Monoisotopic Mass: 3.3
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]+	321.05315	148.0
[M+Na]+	343.03509	157.0
[M-H]-	319.03859	142.0
[M+NH4]+	338.07969	156.0
[M+K]+	359.00903	154.7
[M+H-H2O]+	303.04313	135.3
[M+HCOO]-	365.04407	155.2
[M+CH3COO]-	379.05972	207.9
[M+Na-2H]-	341.02054	153.9
[M]+	320.04532	140.9
[M]-	320.04642	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe