CID 9909702

Ethyl perfluoroheptyl ether

Structural Information

Molecular Formula

C₉H₅F₁₅O

SMILES

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

InChI

InChI=1S/C9H5F15O/c1-2-25-9(23,24)7(18,19)5(14,15)3(10,11)4(12,13)6(16,17)8(20,21)22/h2H2,1H3

InChIKey

JUJZWHMPQZSWKH-UHFFFAOYSA-N

Compound name

1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 414.0101 Da
Monoisotopic Mass: 5.7
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]+	415.017376	179.5
[M+Na]+	436.999318	188.7
[M-H]-	413.002824	157.5
[M+NH4]+	432.043923	161.3
[M+K]+	452.973258	185.8
[M+H-H2O]+	397.007360	165.0
[M+HCOO]-	459.008301	175.2
[M+CH3COO]-	473.023951	224.5
[M+Na-2H]-	434.984766	182.4
[M]+	414.00955142	153.5
[M]-	414.01064858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe