CID 87277037

Ethyl perfluorooctyl ether

Structural Information

Molecular Formula

C₁₀H₅F₁₇O

SMILES

CCOC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H5F17O/c1-2-28-10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h2H2,1H3

InChIKey

MLVIGONYMDLXIU-UHFFFAOYSA-N

Compound name

1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 464.0069 Da
Monoisotopic Mass: 6.4
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]+	465.014176	160.8
[M+Na]+	486.996118	166.7
[M-H]-	462.999624	166.2
[M+NH4]+	482.040723	169.5
[M+K]+	502.970058	174.3
[M+H-H2O]+	447.004160	150.8
[M+HCOO]-	509.005101	181.8
[M+CH3COO]-	523.020751	232.9
[M+Na-2H]-	484.981566	160.7
[M]+	464.00635142	160.3
[M]-	464.00744858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe