213342-85-9 (C12HF26NO4S2)

Structural Information

Molecular Formula

SMILES

C(C(C(C(F)(F)S(=O)(=O)NS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12HF26NO4S2/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)44(40,41)39-45(42,43)12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34/h39H

InChIKey

NZCVFAPYZQZVIO-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)hexane-1-sulfonamide

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]+	781.900476	205.1
[M+Na]+	803.882418	206.3
[M-H]-	779.885924	217.6
[M+NH4]+	798.927023	217.7
[M+K]+	819.856358	220.8
[M+H-H2O]+	763.890460	190.6
[M+HCOO]-	825.891401	221.9
[M+CH3COO]-	839.907051	264.1
[M+Na-2H]-	801.867866	206.0
[M]+	780.89265142	206.8
[M]-	780.89374858	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

781.900476

205.1

[M+Na]+

803.882418

206.3

[M-H]-

779.885924

217.6

[M+NH4]+

798.927023

217.7

[M+K]+

819.856358

220.8

[M+H-H2O]+

763.890460

190.6

[M+HCOO]-

825.891401

221.9

[M+CH3COO]-

839.907051

264.1

[M+Na-2H]-

801.867866

206.0

[M]+

780.89265142

206.8

[M]-

780.89374858

206.8

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

213342-85-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe