CID 23432499

1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane

Structural Information

Molecular Formula

C₇H₅F₁₁O

SMILES

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

InChI

InChI=1S/C7H5F11O/c1-2-19-7(17,18)5(12,13)3(8,9)4(10,11)6(14,15)16/h2H2,1H3

InChIKey

YCXOPGWIXHEAFZ-UHFFFAOYSA-N

Compound name

1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 100
Patents: 314.01648 Da
Monoisotopic Mass: 4.3
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]+	315.023756	156.5
[M+Na]+	337.005698	165.8
[M-H]-	313.009204	144.3
[M+NH4]+	332.050303	170.3
[M+K]+	352.979638	163.6
[M+H-H2O]+	297.013740	144.5
[M+HCOO]-	359.014681	160.7
[M+CH3COO]-	373.030331	206.4
[M+Na-2H]-	334.991146	160.6
[M]+	314.01593142	141.2
[M]-	314.01702858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe