PubChemLite - Qapfsmi n=6 (C16H24F13N2O6S2)

Structural Information

Molecular Formula

SMILES

C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO

InChI

InChI=1S/C16H23F13N2O6S2/c1-31(2,8-9-32)7-3-5-30(6-4-10-38(33,34)35)39(36,37)16(28,29)14(23,24)12(19,20)11(17,18)13(21,22)15(25,26)27/h32H,3-10H2,1-2H3/p+1

InChIKey

WYFODDRZFDBDDF-UHFFFAOYSA-O

Compound name

2-hydroxyethyl-dimethyl-[3-[3-sulfopropyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propyl]azanium

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]+	652.09408	212.1
[M+Na]+	674.07602	213.5
[M-H]-	650.07952	222.2
[M+NH4]+	669.12062	222.6
[M+K]+	690.04996	221.5
[M+H-H2O]+	634.08406	194.5
[M+HCOO]-	696.08500	228.6
[M+CH3COO]-	710.10065	251.0
[M+Na-2H]-	672.06147	205.0
[M]+	651.08625	212.9
[M]-	651.08735	212.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

652.09408

212.1

[M+Na]+

674.07602

213.5

[M-H]-

650.07952

222.2

[M+NH4]+

669.12062

222.6

[M+K]+

690.04996

221.5

[M+H-H2O]+

634.08406

194.5

[M+HCOO]-

696.08500

228.6

[M+CH3COO]-

710.10065

251.0

[M+Na-2H]-

672.06147

205.0

[M]+

651.08625

212.9

[M]-

651.08735

212.9

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

Qapfsmi n=6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe