PubChemLite - Hexakis(2,2-difluoroethoxy)phosphazene (C12H18F12N3O6P3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C12H18F12N3O6P3/c13-7(14)1-28-34(29-2-8(15)16)25-35(30-3-9(17)18,31-4-10(19)20)27-36(26-34,32-5-11(21)22)33-6-12(23)24/h7-12H,1-6H2

InChIKey

ZENPVEFDWIHAJJ-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6-hexakis(2,2-difluoroethoxy)-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]+	622.02895	178.3
[M+Na]+	644.01089	177.6
[M+NH4]+	639.05549	177.1
[M+K]+	659.98483	176.4
[M-H]-	620.01439	172.6
[M+Na-2H]-	641.99634	177.0
[M]+	621.02112	176.2
[M]-	621.02222	176.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

622.02895

178.3

[M+Na]+

644.01089

177.6

[M+NH4]+

639.05549

177.1

[M+K]+

659.98483

176.4

[M-H]-

620.01439

172.6

[M+Na-2H]-

641.99634

177.0

[M]+

621.02112

176.2

[M]-

621.02222

176.2

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

Hexakis(2,2-difluoroethoxy)phosphazene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe