PubChemLite - Hexakis(1h,1h,5h-perfluoropentoxy)phosphazene (C30H18F48N3O6P3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H18F48N3O6P3/c31-7(32)19(55,56)25(67,68)13(43,44)1-82-88(83-2-14(45,46)26(69,70)20(57,58)8(33)34)79-89(84-3-15(47,48)27(71,72)21(59,60)9(35)36,85-4-16(49,50)28(73,74)22(61,62)10(37)38)81-90(80-88,86-5-17(51,52)29(75,76)23(63,64)11(39)40)87-6-18(53,54)30(77,78)24(65,66)12(41)42/h7-12H,1-6H2

InChIKey

TYEUBAWEDRQJFN-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-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]+	1521.9715	356.5
[M+Na]+	1543.9534	357.5
[M-H]-	1519.9569	369.1
[M+NH4]+	1538.9980	368.0
[M+K]+	1559.9274	367.6
[M+H-H2O]+	1503.9615	343.7
[M+HCOO]-	1565.9624	358.8
[M+CH3COO]-	1579.9781	286.5
[M+Na-2H]-	1541.9389	351.5
[M]+	1520.9637	347.9
[M]-	1520.9647	347.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1521.9715

356.5

[M+Na]+

1543.9534

357.5

[M-H]-

1519.9569

369.1

[M+NH4]+

1538.9980

368.0

[M+K]+

1559.9274

367.6

[M+H-H2O]+

1503.9615

343.7

[M+HCOO]-

1565.9624

358.8

[M+CH3COO]-

1579.9781

286.5

[M+Na-2H]-

1541.9389

351.5

[M]+

1520.9637

347.9

[M]-

1520.9647

347.9

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

Hexakis(1h,1h,5h-perfluoropentoxy)phosphazene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe