PubChemLite - Hopas n=6 m=7 (C26H29F25O7)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCO)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

InChI

InChI=1S/C26H29F25O7/c27-15(28,1-3-53-5-7-55-9-11-57-13-14-58-12-10-56-8-6-54-4-2-52)16(29,30)17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)23(43,44)24(45,46)25(47,48)26(49,50)51/h52H,1-14H2

InChIKey

BENAOEVNTVFYFD-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)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]+	929.15868	233.4
[M+Na]+	951.14062	232.3
[M-H]-	927.14412	242.6
[M+NH4]+	946.18522	246.1
[M+K]+	967.11456	249.4
[M+H-H2O]+	911.14866	218.8
[M+HCOO]-	973.14960	246.5
[M+CH3COO]-	987.16525	286.7
[M+Na-2H]-	949.12607	228.4
[M]+	928.15085	233.4
[M]-	928.15195	233.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

929.15868

233.4

[M+Na]+

951.14062

232.3

[M-H]-

927.14412

242.6

[M+NH4]+

946.18522

246.1

[M+K]+

967.11456

249.4

[M+H-H2O]+

911.14866

218.8

[M+HCOO]-

973.14960

246.5

[M+CH3COO]-

987.16525

286.7

[M+Na-2H]-

949.12607

228.4

[M]+

928.15085

233.4

[M]-

928.15195

233.4

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

Hopas n=6 m=7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe