PubChemLite - Hopas n=3 m=11 (C28H45F13O11)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C28H45F13O11/c29-23(30,24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)41)1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-42/h42H,1-22H2

InChIKey

FJVJXXCARPANEO-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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]+	805.28273	237.1
[M+Na]+	827.26467	234.9
[M-H]-	803.26817	237.7
[M+NH4]+	822.30927	247.3
[M+K]+	843.23861	245.3
[M+H-H2O]+	787.27271	227.3
[M+HCOO]-	849.27365	249.2
[M+CH3COO]-	863.28930	280.9
[M+Na-2H]-	825.25012	223.5
[M]+	804.27490	237.5
[M]-	804.27600	237.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

805.28273

237.1

[M+Na]+

827.26467

234.9

[M-H]-

803.26817

237.7

[M+NH4]+

822.30927

247.3

[M+K]+

843.23861

245.3

[M+H-H2O]+

787.27271

227.3

[M+HCOO]-

849.27365

249.2

[M+CH3COO]-

863.28930

280.9

[M+Na-2H]-

825.25012

223.5

[M]+

804.27490

237.5

[M]-

804.27600

237.5

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

Hopas n=3 m=11

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe