37589-57-4 (C20F42)

Structural Information

Molecular Formula

SMILES

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)(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

InChI

InChI=1S/C20F42/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62

InChIKey

WSXNCJNDCDTRSA-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-dotetracontafluoroicosane

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]+	1038.940276	248.3
[M+Na]+	1060.922218	249.5
[M-H]-	1036.925724	260.3
[M+NH4]+	1055.966823	258.3
[M+K]+	1076.896158	263.6
[M+H-H2O]+	1020.930260	237.9
[M+HCOO]-	1082.931201	259.9
[M+CH3COO]-	1096.946851	274.3
[M+Na-2H]-	1058.907666	253.2
[M]+	1037.93245142	240.8
[M]-	1037.93354858	240.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1038.940276

248.3

[M+Na]+

1060.922218

249.5

[M-H]-

1036.925724

260.3

[M+NH4]+

1055.966823

258.3

[M+K]+

1076.896158

263.6

[M+H-H2O]+

1020.930260

237.9

[M+HCOO]-

1082.931201

259.9

[M+CH3COO]-

1096.946851

274.3

[M+Na-2H]-

1058.907666

253.2

[M]+

1037.93245142

240.8

[M]-

1037.93354858

240.8

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

37589-57-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe