PubChemLite - Dtxsid10895449 (C26H32F21I)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(CC(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)I

InChI

InChI=1S/C26H32F21I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(48)15-17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)23(39,40)24(41,42)25(43,44)26(45,46)47/h16H,2-15H2,1H3

InChIKey

RHVLWEBCYIGSTH-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-henicosafluoro-12-iodohexacosane

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]+	871.12862	257.3
[M+Na]+	893.11056	260.4
[M-H]-	869.11406	261.6
[M+NH4]+	888.15516	267.6
[M+K]+	909.08450	275.6
[M+H-H2O]+	853.11860	244.2
[M+HCOO]-	915.11954	269.2
[M+CH3COO]-	929.13519	280.3
[M+Na-2H]-	891.09601	250.3
[M]+	870.12079	253.4
[M]-	870.12189	253.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

871.12862

257.3

[M+Na]+

893.11056

260.4

[M-H]-

869.11406

261.6

[M+NH4]+

888.15516

267.6

[M+K]+

909.08450

275.6

[M+H-H2O]+

853.11860

244.2

[M+HCOO]-

915.11954

269.2

[M+CH3COO]-

929.13519

280.3

[M+Na-2H]-

891.09601

250.3

[M]+

870.12079

253.4

[M]-

870.12189

253.4

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

Dtxsid10895449

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe