15:2 fluorotelomer alcohol (C17H5F31O)

Structural Information

Molecular Formula

SMILES

C(CO)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

InChI

InChI=1S/C17H5F31O/c18-3(19,1-2-49)4(20,21)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)48/h49H,1-2H2

InChIKey

HGAACFXFMWRRFD-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hentriacontafluoroheptadecan-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]+	814.991836	211.8
[M+Na]+	836.973778	213.3
[M-H]-	812.977284	223.2
[M+NH4]+	832.018383	222.7
[M+K]+	852.947718	229.1
[M+H-H2O]+	796.981820	197.9
[M+HCOO]-	858.982761	226.8
[M+CH3COO]-	872.998411	269.9
[M+Na-2H]-	834.959226	214.0
[M]+	813.98401142	208.7
[M]-	813.98510858	208.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

814.991836

211.8

[M+Na]+

836.973778

213.3

[M-H]-

812.977284

223.2

[M+NH4]+

832.018383

222.7

[M+K]+

852.947718

229.1

[M+H-H2O]+

796.981820

197.9

[M+HCOO]-

858.982761

226.8

[M+CH3COO]-

872.998411

269.9

[M+Na-2H]-

834.959226

214.0

[M]+

813.98401142

208.7

[M]-

813.98510858

208.7

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

15:2 fluorotelomer alcohol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe