Einecs 265-435-2 (C20H4F37I)

Structural Information

Molecular Formula

SMILES

C(CI)C(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)(F)F

InChI

InChI=1S/C20H4F37I/c21-3(22,1-2-58)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)19(53,54)20(55,56)57/h1-2H2

InChIKey

ZVYZCXJEWPRVAQ-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-heptatriacontafluoro-20-iodoicosane

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]+	1074.883976	259.0
[M+Na]+	1096.865918	260.3
[M-H]-	1072.869424	270.1
[M+NH4]+	1091.910523	269.6
[M+K]+	1112.839858	275.2
[M+H-H2O]+	1056.873960	247.2
[M+HCOO]-	1118.874901	270.9
[M+CH3COO]-	1132.890551	276.8
[M+Na-2H]-	1094.851366	261.0
[M]+	1073.87615142	253.4
[M]-	1073.87724858	253.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1074.883976

259.0

[M+Na]+

1096.865918

260.3

[M-H]-

1072.869424

270.1

[M+NH4]+

1091.910523

269.6

[M+K]+

1112.839858

275.2

[M+H-H2O]+

1056.873960

247.2

[M+HCOO]-

1118.874901

270.9

[M+CH3COO]-

1132.890551

276.8

[M+Na-2H]-

1094.851366

261.0

[M]+

1073.87615142

253.4

[M]-

1073.87724858

253.4

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

Einecs 265-435-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe