PubChemLite - Bis(perfluorooctylsulfonyl)amine (C16HF34NO4S2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C16HF34NO4S2/c17-1(18,5(25,26)9(33,34)13(41,42)43)3(21,22)7(29,30)11(37,38)15(47,48)56(52,53)51-57(54,55)16(49,50)12(39,40)8(31,32)4(23,24)2(19,20)6(27,28)10(35,36)14(44,45)46/h51H

InChIKey

FKDMKFQVVFJJFZ-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)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]+	981.88771	237.2
[M+Na]+	1003.8696	237.4
[M-H]-	979.87315	250.6
[M+NH4]+	998.91425	249.3
[M+K]+	1019.8436	253.0
[M+H-H2O]+	963.87769	223.8
[M+HCOO]-	1025.8786	250.4
[M+CH3COO]-	1039.8943	274.4
[M+Na-2H]-	1001.8551	239.6
[M]+	980.87988	236.4
[M]-	980.88098	236.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

981.88771

237.2

[M+Na]+

1003.8696

237.4

[M-H]-

979.87315

250.6

[M+NH4]+

998.91425

249.3

[M+K]+

1019.8436

253.0

[M+H-H2O]+

963.87769

223.8

[M+HCOO]-

1025.8786

250.4

[M+CH3COO]-

1039.8943

274.4

[M+Na-2H]-

1001.8551

239.6

[M]+

980.87988

236.4

[M]-

980.88098

236.4

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

Bis(perfluorooctylsulfonyl)amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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