PubChemLite - 6:2/6:2 ftsam dimer (C16H9F26NO4S2)

Structural Information

Molecular Formula

SMILES

C(CS(=O)(=O)NS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H9F26NO4S2/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-48(44,45)43-49(46,47)4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h43H,1-4H2

InChIKey

GNXKIANWUOJVLQ-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)octane-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]+	837.96308	217.8
[M+Na]+	859.94502	218.5
[M-H]-	835.94852	229.4
[M+NH4]+	854.98962	230.4
[M+K]+	875.91896	233.9
[M+H-H2O]+	819.95306	202.9
[M+HCOO]-	881.95400	233.5
[M+CH3COO]-	895.96965	270.9
[M+Na-2H]-	857.93047	217.2
[M]+	836.95525	219.5
[M]-	836.95635	219.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

837.96308

217.8

[M+Na]+

859.94502

218.5

[M-H]-

835.94852

229.4

[M+NH4]+

854.98962

230.4

[M+K]+

875.91896

233.9

[M+H-H2O]+

819.95306

202.9

[M+HCOO]-

881.95400

233.5

[M+CH3COO]-

895.96965

270.9

[M+Na-2H]-

857.93047

217.2

[M]+

836.95525

219.5

[M]-

836.95635

219.5

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

6:2/6:2 ftsam dimer

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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