Einecs 281-728-8 (C17H2F32O)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O/C(=C(/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/C17H2F32O/c18-2(5(22,23)7(26,27)9(30,31)11(34,35)13(38,39)15(42,43)17(47,48)49)3(19)50-1-4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)14(40,41)16(44,45)46/h1H2/b3-2-

InChIKey

JQAUPWZJRFGGGG-IHWYPQMZSA-N

Compound name

(E)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)non-1-ene

Related CIDs

2D Structure

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]+	830.966776	218.6
[M+Na]+	852.948718	221.6
[M-H]-	828.952224	231.1
[M+NH4]+	847.993323	231.7
[M+K]+	868.922658	237.0
[M+H-H2O]+	812.956760	206.8
[M+HCOO]-	874.957701	231.6
[M+CH3COO]-	888.973351	271.5
[M+Na-2H]-	850.934166	221.4
[M]+	829.95895142	214.2
[M]-	829.96004858	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

830.966776

218.6

[M+Na]+

852.948718

221.6

[M-H]-

828.952224

231.1

[M+NH4]+

847.993323

231.7

[M+K]+

868.922658

237.0

[M+H-H2O]+

812.956760

206.8

[M+HCOO]-

874.957701

231.6

[M+CH3COO]-

888.973351

271.5

[M+Na-2H]-

850.934166

221.4

[M]+

829.95895142

214.2

[M]-

829.96004858

214.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Einecs 281-728-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe