PubChemLite - Schembl11810378 (C20F42O5S2)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(F)(F)S(=O)(=O)OS(=O)(=O)C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C20F42O5S2/c21-1(22,5(29,30)9(37,38)13(45,46)17(53,54)55)3(25,26)7(33,34)11(41,42)15(49,50)19(59,60)68(63,64)67-69(65,66)20(61,62)16(51,52)12(43,44)8(35,36)4(27,28)2(23,24)6(31,32)10(39,40)14(47,48)18(56,57)58

InChIKey

GFOLJAIWLKFUTN-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylsulfonyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonate

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]+	1182.8590	276.3
[M+Na]+	1204.8409	275.8
[M-H]-	1180.8444	288.7
[M+NH4]+	1199.8855	286.8
[M+K]+	1220.8149	289.6
[M+H-H2O]+	1164.8490	265.8
[M+HCOO]-	1226.8499	286.2
[M+CH3COO]-	1240.8656	274.2
[M+Na-2H]-	1202.8264	278.9
[M]+	1181.8512	271.8
[M]-	1181.8522	271.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1182.8590

276.3

[M+Na]+

1204.8409

275.8

[M-H]-

1180.8444

288.7

[M+NH4]+

1199.8855

286.8

[M+K]+

1220.8149

289.6

[M+H-H2O]+

1164.8490

265.8

[M+HCOO]-

1226.8499

286.2

[M+CH3COO]-

1240.8656

274.2

[M+Na-2H]-

1202.8264

278.9

[M]+

1181.8512

271.8

[M]-

1181.8522

271.8

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

Schembl11810378

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe