17:2 fluorotelomer alcohol (C19H5F35O)

Structural Information

Molecular Formula

SMILES

C(CO)C(C(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C19H5F35O/c20-3(21,1-2-55)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)16(46,47)17(48,49)18(50,51)19(52,53)54/h55H,1-2H2

InChIKey

MYSZJHGOXPIEFY-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-pentatriacontafluorononadecan-1-ol

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]+	914.985426	227.3
[M+Na]+	936.967368	228.3
[M-H]-	912.970874	239.3
[M+NH4]+	932.011973	238.0
[M+K]+	952.941308	244.2
[M+H-H2O]+	896.975410	214.1
[M+HCOO]-	958.976351	240.6
[M+CH3COO]-	972.992001	274.1
[M+Na-2H]-	934.952816	230.4
[M]+	913.97760142	223.0
[M]-	913.97869858	223.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

914.985426

227.3

[M+Na]+

936.967368

228.3

[M-H]-

912.970874

239.3

[M+NH4]+

932.011973

238.0

[M+K]+

952.941308

244.2

[M+H-H2O]+

896.975410

214.1

[M+HCOO]-

958.976351

240.6

[M+CH3COO]-

972.992001

274.1

[M+Na-2H]-

934.952816

230.4

[M]+

913.97760142

223.0

[M]-

913.97869858

223.0

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

17:2 fluorotelomer alcohol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe