PubChemLite - Perfluorooctanesulfonamido ammonium (C14H16F17N2O2S)

Structural Information

Molecular Formula

SMILES

C[N+](C)(C)CCCNS(=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

InChI

InChI=1S/C14H16F17N2O2S/c1-33(2,3)6-4-5-32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h32H,4-6H2,1-3H3/q+1

InChIKey

FGTDPZOJJFPWCB-UHFFFAOYSA-N

Compound name

3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium

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]+	600.07338	207.6
[M+Na]+	622.05532	212.0
[M-H]-	598.05882	218.5
[M+NH4]+	617.09992	217.8
[M+K]+	638.02926	220.5
[M+H-H2O]+	582.06336	189.8
[M+HCOO]-	644.06430	228.2
[M+CH3COO]-	658.07995	249.7
[M+Na-2H]-	620.04077	203.4
[M]+	599.06555	205.9
[M]-	599.06665	205.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

600.07338

207.6

[M+Na]+

622.05532

212.0

[M-H]-

598.05882

218.5

[M+NH4]+

617.09992

217.8

[M+K]+

638.02926

220.5

[M+H-H2O]+

582.06336

189.8

[M+HCOO]-

644.06430

228.2

[M+CH3COO]-

658.07995

249.7

[M+Na-2H]-

620.04077

203.4

[M]+

599.06555

205.9

[M]-

599.06665

205.9

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

Perfluorooctanesulfonamido ammonium

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe