Hopas n=7 m=13 (C40H53F29O13)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(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)(F)F)(F)F

InChI

InChI=1S/C40H53F29O13/c41-27(42,1-3-71-5-7-73-9-11-75-13-15-77-17-19-79-21-23-81-25-26-82-24-22-80-20-18-78-16-14-76-12-10-74-8-6-72-4-2-70)28(43,44)29(45,46)30(47,48)31(49,50)32(51,52)33(53,54)34(55,56)35(57,58)36(59,60)37(61,62)38(63,64)39(65,66)40(67,68)69/h70H,1-26H2

InChIKey

KIJBUGHQNIOQLL-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)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]+	1293.309676	294.1
[M+Na]+	1315.291618	289.4
[M-H]-	1291.295124	304.2
[M+NH4]+	1310.336223	309.5
[M+K]+	1331.265558	309.9
[M+H-H2O]+	1275.299660	278.8
[M+HCOO]-	1337.300601	301.3
[M+CH3COO]-	1351.316251	311.1
[M+Na-2H]-	1313.277066	285.1
[M]+	1292.30185142	299.9
[M]-	1292.30294858	299.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1293.309676

294.1

[M+Na]+

1315.291618

289.4

[M-H]-

1291.295124

304.2

[M+NH4]+

1310.336223

309.5

[M+K]+

1331.265558

309.9

[M+H-H2O]+

1275.299660

278.8

[M+HCOO]-

1337.300601

301.3

[M+CH3COO]-

1351.316251

311.1

[M+Na-2H]-

1313.277066

285.1

[M]+

1292.30185142

299.9

[M]-

1292.30294858

299.9

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

Hopas n=7 m=13

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe