PubChemLite - Mopflsa n=6 (C10HF21O5S)

Structural Information

Molecular Formula

SMILES

C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10HF21O5S/c11-1(12,2(13,14)4(17,18)10(30,31)37(32,33)34)3(15,16)6(22,23)35-8(26,27)9(28,29)36-7(24,25)5(19,20)21/h(H,32,33,34)

InChIKey

YHGGSPPLYDWUQB-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]hexane-1-sulfonic acid

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]+	632.92824	179.7
[M+Na]+	654.91018	181.2
[M-H]-	630.91368	189.9
[M+NH4]+	649.95478	191.2
[M+K]+	670.88412	193.0
[M+H-H2O]+	614.91822	166.2
[M+HCOO]-	676.91916	198.8
[M+CH3COO]-	690.93481	248.2
[M+Na-2H]-	652.89563	179.0
[M]+	631.92041	181.3
[M]-	631.92151	181.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

632.92824

179.7

[M+Na]+

654.91018

181.2

[M-H]-

630.91368

189.9

[M+NH4]+

649.95478

191.2

[M+K]+

670.88412

193.0

[M+H-H2O]+

614.91822

166.2

[M+HCOO]-

676.91916

198.8

[M+CH3COO]-

690.93481

248.2

[M+Na-2H]-

652.89563

179.0

[M]+

631.92041

181.3

[M]-

631.92151

181.3

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

Mopflsa n=6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe