PubChemLite - Mopflsa n=8 (C12HF25O5S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C12HF25O5S/c13-1(14,2(15,16)4(19,20)6(23,24)12(36,37)43(38,39)40)3(17,18)5(21,22)8(28,29)41-10(32,33)11(34,35)42-9(30,31)7(25,26)27/h(H,38,39,40)

InChIKey

CHIKSHGBHSNKQY-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]octane-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]+	732.92183	195.9
[M+Na]+	754.90377	196.6
[M-H]-	730.90727	207.7
[M+NH4]+	749.94837	208.2
[M+K]+	770.87771	210.8
[M+H-H2O]+	714.91181	181.5
[M+HCOO]-	776.91275	213.3
[M+CH3COO]-	790.92840	259.5
[M+Na-2H]-	752.88922	196.0
[M]+	731.91400	197.2
[M]-	731.91510	197.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

732.92183

195.9

[M+Na]+

754.90377

196.6

[M-H]-

730.90727

207.7

[M+NH4]+

749.94837

208.2

[M+K]+

770.87771

210.8

[M+H-H2O]+

714.91181

181.5

[M+HCOO]-

776.91275

213.3

[M+CH3COO]-

790.92840

259.5

[M+Na-2H]-

752.88922

196.0

[M]+

731.91400

197.2

[M]-

731.91510

197.2

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

Mopflsa n=8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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