Dtxsid80895517 (C20H14F26I2)

Structural Information

Molecular Formula

SMILES

C(CCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I)CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I

InChI

InChI=1S/C20H14F26I2/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)5-7(47)3-1-2-4-8(48)6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h7-8H,1-6H2

InChIKey

JFGKJLVJKBJQJJ-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,15,15,16,16,17,17,18,18,19,19,20,20,20-hexacosafluoro-8,13-diiodoicosane

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]+	1002.884226	283.9
[M+Na]+	1024.866168	286.8
[M-H]-	1000.869674	291.4
[M+NH4]+	1019.910773	294.3
[M+K]+	1040.840108	299.7
[M+H-H2O]+	984.874210	273.1
[M+HCOO]-	1046.875151	293.0
[M+CH3COO]-	1060.890801	274.2
[M+Na-2H]-	1022.851616	280.0
[M]+	1001.87640142	279.0
[M]-	1001.87749858	279.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1002.884226

283.9

[M+Na]+

1024.866168

286.8

[M-H]-

1000.869674

291.4

[M+NH4]+

1019.910773

294.3

[M+K]+

1040.840108

299.7

[M+H-H2O]+

984.874210

273.1

[M+HCOO]-

1046.875151

293.0

[M+CH3COO]-

1060.890801

274.2

[M+Na-2H]-

1022.851616

280.0

[M]+

1001.87640142

279.0

[M]-

1001.87749858

279.0

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

Dtxsid80895517

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe