Hexakis(1h,1h-nonafluoropentoxy)phosphazene (C30H12F54N3O6P3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H12F54N3O6P3/c31-7(32,13(43,44)19(55,56)25(67,68)69)1-88-94(89-2-8(33,34)14(45,46)20(57,58)26(70,71)72)85-95(90-3-9(35,36)15(47,48)21(59,60)27(73,74)75,91-4-10(37,38)16(49,50)22(61,62)28(76,77)78)87-96(86-94,92-5-11(39,40)17(51,52)23(63,64)29(79,80)81)93-6-12(41,42)18(53,54)24(65,66)30(82,83)84/h1-6H2

InChIKey

CNVDWDMRWWSXKR-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)-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]+	1629.914976	353.9
[M+Na]+	1651.896918	354.1
[M-H]-	1627.900424	364.6
[M+NH4]+	1646.941523	361.0
[M+K]+	1667.870858	361.6
[M+H-H2O]+	1611.904960	344.1
[M+HCOO]-	1673.905901	358.7
[M+CH3COO]-	1687.921551	274.7
[M+Na-2H]-	1649.882366	351.3
[M]+	1628.90715142	342.5
[M]-	1628.90824858	342.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1629.914976

353.9

[M+Na]+

1651.896918

354.1

[M-H]-

1627.900424

364.6

[M+NH4]+

1646.941523

361.0

[M+K]+

1667.870858

361.6

[M+H-H2O]+

1611.904960

344.1

[M+HCOO]-

1673.905901

358.7

[M+CH3COO]-

1687.921551

274.7

[M+Na-2H]-

1649.882366

351.3

[M]+

1628.90715142

342.5

[M]-

1628.90824858

342.5

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

Hexakis(1h,1h-nonafluoropentoxy)phosphazene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe