PubChemLite - Hopas n=3 m=17 (C40H69F13O17)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C40H69F13O17/c41-35(42,36(43,44)37(45,46)38(47,48)39(49,50)40(51,52)53)1-3-55-5-7-57-9-11-59-13-15-61-17-19-63-21-23-65-25-27-67-29-31-69-33-34-70-32-30-68-28-26-66-24-22-64-20-18-62-16-14-60-12-10-58-8-6-56-4-2-54/h54H,1-34H2

InChIKey

DCEIPYNIRPOEPC-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[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]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]+	1069.4400	300.7
[M+Na]+	1091.4219	293.6
[M-H]-	1067.4254	300.2
[M+NH4]+	1086.4665	314.6
[M+K]+	1107.3959	307.7
[M+H-H2O]+	1051.4300	290.2
[M+HCOO]-	1113.4309	306.6
[M+CH3COO]-	1127.4466	314.3
[M+Na-2H]-	1089.4074	279.9
[M]+	1068.4322	308.3
[M]-	1068.4332	308.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1069.4400

300.7

[M+Na]+

1091.4219

293.6

[M-H]-

1067.4254

300.2

[M+NH4]+

1086.4665

314.6

[M+K]+

1107.3959

307.7

[M+H-H2O]+

1051.4300

290.2

[M+HCOO]-

1113.4309

306.6

[M+CH3COO]-

1127.4466

314.3

[M+Na-2H]-

1089.4074

279.9

[M]+

1068.4322

308.3

[M]-

1068.4332

308.3

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=17

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe