PubChemLite - Hexakis(1h,1h-perfluoropropoxy)phosphazene (C18H12F30N3O6P3)

Structural Information

Molecular Formula

SMILES

C(C(C(F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(F)(F)F)(F)F)OCC(C(F)(F)F)(F)F)(OCC(C(F)(F)F)(F)F)OCC(C(F)(F)F)(F)F)OCC(C(F)(F)F)(F)F

InChI

InChI=1S/C18H12F30N3O6P3/c19-7(20,13(31,32)33)1-52-58(53-2-8(21,22)14(34,35)36)49-59(54-3-9(23,24)15(37,38)39,55-4-10(25,26)16(40,41)42)51-60(50-58,56-5-11(27,28)17(43,44)45)57-6-12(29,30)18(46,47)48/h1-6H2

InChIKey

UFNLQPBQHDVESI-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6-hexakis(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

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]+	1029.9533	273.8
[M+Na]+	1051.9352	276.5
[M-H]-	1027.9387	285.4
[M+NH4]+	1046.9798	288.8
[M+K]+	1067.9092	285.7
[M+H-H2O]+	1011.9433	251.5
[M+HCOO]-	1073.9442	289.6
[M+CH3COO]-	1087.9599	288.2
[M+Na-2H]-	1049.9207	266.1
[M]+	1028.9455	269.7
[M]-	1028.9465	269.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1029.9533

273.8

[M+Na]+

1051.9352

276.5

[M-H]-

1027.9387

285.4

[M+NH4]+

1046.9798

288.8

[M+K]+

1067.9092

285.7

[M+H-H2O]+

1011.9433

251.5

[M+HCOO]-

1073.9442

289.6

[M+CH3COO]-

1087.9599

288.2

[M+Na-2H]-

1049.9207

266.1

[M]+

1028.9455

269.7

[M]-

1028.9465

269.7

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

Hexakis(1h,1h-perfluoropropoxy)phosphazene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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