Dtxsid101032611 (C22H15F34N2O8PS2)

Structural Information

Molecular Formula

SMILES

CN(CCOP(=O)(O)OCCN(C)S(=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)S(=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/C22H15F34N2O8PS2/c1-57(68(61,62)21(53,54)17(43,44)13(35,36)9(27,28)7(23,24)11(31,32)15(39,40)19(47,48)49)3-5-65-67(59,60)66-6-4-58(2)69(63,64)22(55,56)18(45,46)14(37,38)10(29,30)8(25,26)12(33,34)16(41,42)20(50,51)52/h3-6H2,1-2H3,(H,59,60)

InChIKey

ZRZKOJLKGBCROO-UHFFFAOYSA-N

Compound name

bis[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]ethyl] hydrogen phosphate

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]+	1176.953676	287.6
[M+Na]+	1198.935618	287.2
[M-H]-	1174.939124	304.4
[M+NH4]+	1193.980223	302.6
[M+K]+	1214.909558	302.8
[M+H-H2O]+	1158.943660	271.1
[M+HCOO]-	1220.944601	296.1
[M+CH3COO]-	1234.960251	287.3
[M+Na-2H]-	1196.921066	285.3
[M]+	1175.94585142	288.5
[M]-	1175.94694858	288.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1176.953676

287.6

[M+Na]+

1198.935618

287.2

[M-H]-

1174.939124

304.4

[M+NH4]+

1193.980223

302.6

[M+K]+

1214.909558

302.8

[M+H-H2O]+

1158.943660

271.1

[M+HCOO]-

1220.944601

296.1

[M+CH3COO]-

1234.960251

287.3

[M+Na-2H]-

1196.921066

285.3

[M]+

1175.94585142

288.5

[M]-

1175.94694858

288.5

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

Dtxsid101032611

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe