PubChemLite - Hexakis(1h,1h,3h-perfluoropropoxy)phosphazene (C18H18F24N3O6P3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C18H18F24N3O6P3/c19-7(20)13(31,32)1-46-52(47-2-14(33,34)8(21)22)43-53(48-3-15(35,36)9(23)24,49-4-16(37,38)10(25)26)45-54(44-52,50-5-17(39,40)11(27)28)51-6-18(41,42)12(29)30/h7-12H,1-6H2

InChIKey

WAVNXLRSYAMQNY-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6-hexakis(2,2,3,3-tetrafluoropropoxy)-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]+	922.00978	275.6
[M+Na]+	943.99172	281.6
[M-H]-	919.99522	285.2
[M+NH4]+	939.03632	294.0
[M+K]+	959.96566	287.3
[M+H-H2O]+	903.99976	257.1
[M+HCOO]-	966.00070	280.6
[M+CH3COO]-	980.01635	290.7
[M+Na-2H]-	941.97717	264.7
[M]+	921.00195	266.3
[M]-	921.00305	266.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

922.00978

275.6

[M+Na]+

943.99172

281.6

[M-H]-

919.99522

285.2

[M+NH4]+

939.03632

294.0

[M+K]+

959.96566

287.3

[M+H-H2O]+

903.99976

257.1

[M+HCOO]-

966.00070

280.6

[M+CH3COO]-

980.01635

290.7

[M+Na-2H]-

941.97717

264.7

[M]+

921.00195

266.3

[M]-

921.00305

266.3

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

Hexakis(1h,1h,3h-perfluoropropoxy)phosphazene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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