PubChemLite - Dtxsid10895383 (C20H17F25)

Structural Information

Molecular Formula

SMILES

CCCCCCCCC(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

InChI

InChI=1S/C20H17F25/c1-2-3-4-5-6-7-8-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h2-8H2,1H3

InChIKey

QELQLGDYULEYAR-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-pentacosafluoroicosane

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]+	733.10038	210.3
[M+Na]+	755.08232	213.2
[M-H]-	731.08582	218.3
[M+NH4]+	750.12692	221.1
[M+K]+	771.05626	228.6
[M+H-H2O]+	715.09036	196.5
[M+HCOO]-	777.09130	226.9
[M+CH3COO]-	791.10695	269.8
[M+Na-2H]-	753.06777	209.3
[M]+	732.09255	208.4
[M]-	732.09365	208.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

733.10038

210.3

[M+Na]+

755.08232

213.2

[M-H]-

731.08582

218.3

[M+NH4]+

750.12692

221.1

[M+K]+

771.05626

228.6

[M+H-H2O]+

715.09036

196.5

[M+HCOO]-

777.09130

226.9

[M+CH3COO]-

791.10695

269.8

[M+Na-2H]-

753.06777

209.3

[M]+

732.09255

208.4

[M]-

732.09365

208.4

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

Dtxsid10895383

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe