PubChemLite - 6:2/8:2 ftsam dimer (C18H9F30NO4S2)

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(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H9F30NO4S2/c19-5(20,7(23,24)9(27,28)11(31,32)12(33,34)14(37,38)16(41,42)18(46,47)48)1-3-54(50,51)49-55(52,53)4-2-6(21,22)8(25,26)10(29,30)13(35,36)15(39,40)17(43,44)45/h49H,1-4H2

InChIKey

DMDCQRUFPWJNIN-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)decane-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]+	937.95668	232.7
[M+Na]+	959.93862	232.9
[M-H]-	935.94212	245.2
[M+NH4]+	954.98322	245.3
[M+K]+	975.91256	249.2
[M+H-H2O]+	919.94666	218.1
[M+HCOO]-	981.94760	246.8
[M+CH3COO]-	995.96325	276.3
[M+Na-2H]-	957.92407	233.1
[M]+	936.94885	233.5
[M]-	936.94995	233.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

937.95668

232.7

[M+Na]+

959.93862

232.9

[M-H]-

935.94212

245.2

[M+NH4]+

954.98322

245.3

[M+K]+

975.91256

249.2

[M+H-H2O]+

919.94666

218.1

[M+HCOO]-

981.94760

246.8

[M+CH3COO]-

995.96325

276.3

[M+Na-2H]-

957.92407

233.1

[M]+

936.94885

233.5

[M]-

936.94995

233.5

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

6:2/8:2 ftsam dimer

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe