PubChemLite - Hopas n=5 m=7 (C24H29F21O7)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCO)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

InChI

InChI=1S/C24H29F21O7/c25-15(26,1-3-47-5-7-49-9-11-51-13-14-52-12-10-50-8-6-48-4-2-46)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)21(37,38)22(39,40)23(41,42)24(43,44)45/h46H,1-14H2

InChIKey

NMBLBFBSECLQNE-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)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]+	829.16508	220.9
[M+Na]+	851.14702	220.3
[M-H]-	827.15052	228.0
[M+NH4]+	846.19162	232.6
[M+K]+	867.12096	235.3
[M+H-H2O]+	811.15506	207.2
[M+HCOO]-	873.15600	235.0
[M+CH3COO]-	887.17165	279.4
[M+Na-2H]-	849.13247	214.4
[M]+	828.15725	220.4
[M]-	828.15835	220.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

829.16508

220.9

[M+Na]+

851.14702

220.3

[M-H]-

827.15052

228.0

[M+NH4]+

846.19162

232.6

[M+K]+

867.12096

235.3

[M+H-H2O]+

811.15506

207.2

[M+HCOO]-

873.15600

235.0

[M+CH3COO]-

887.17165

279.4

[M+Na-2H]-

849.13247

214.4

[M]+

828.15725

220.4

[M]-

828.15835

220.4

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

Hopas n=5 m=7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe