PubChemLite - Ns00007307 (C19H24F18N2O7S2)

Structural Information

Molecular Formula

SMILES

CC(COCCOC(C)COCC(C)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C19H24F18N2O7S2/c1-9(38-47(40,41)18(34,35)14(24,25)12(20,21)16(28,29)30)6-44-4-5-46-11(3)8-45-7-10(2)39-48(42,43)19(36,37)15(26,27)13(22,23)17(31,32)33/h9-11,38-39H,4-8H2,1-3H3

InChIKey

BDINZLWTVNXLEF-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4-nonafluoro-N-[1-[2-[1-[2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propoxy]propan-2-yloxy]ethoxy]propan-2-yl]butane-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]+	799.08098	223.5
[M+Na]+	821.06292	225.3
[M-H]-	797.06642	236.3
[M+NH4]+	816.10752	238.3
[M+K]+	837.03686	238.5
[M+H-H2O]+	781.07096	210.2
[M+HCOO]-	843.07190	232.0
[M+CH3COO]-	857.08755	275.8
[M+Na-2H]-	819.04837	218.1
[M]+	798.07315	224.9
[M]-	798.07425	224.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

799.08098

223.5

[M+Na]+

821.06292

225.3

[M-H]-

797.06642

236.3

[M+NH4]+

816.10752

238.3

[M+K]+

837.03686

238.5

[M+H-H2O]+

781.07096

210.2

[M+HCOO]-

843.07190

232.0

[M+CH3COO]-

857.08755

275.8

[M+Na-2H]-

819.04837

218.1

[M]+

798.07315

224.9

[M]-

798.07425

224.9

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

Ns00007307

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe