CID 15607684

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

Structural Information

Molecular Formula
C24H15F39N3O6P3
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(F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(F)(F)F)(F)F)OCC(C(F)(F)F)(F)F
InChI
InChI=1S/C24H15F39N3O6P3/c25-7(26)16(43,44)19(49,50)10(31,32)1-67-73(70-4-13(37,38)22(55,56)57)64-74(71-5-14(39,40)23(58,59)60,68-2-11(33,34)20(51,52)17(45,46)8(27)28)66-75(65-73,72-6-15(41,42)24(61,62)63)69-3-12(35,36)21(53,54)18(47,48)9(29)30/h7-9H,1-6H2
InChIKey
VSJYUOGOYPSILM-UHFFFAOYSA-N
Compound name
2,4,6-tris(2,2,3,3,4,4,5,5-octafluoropentoxy)-2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1274.9551 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1275.962376 318.5
[M+Na]+ 1297.944318 320.1
[M-H]- 1273.947824 331.5
[M+NH4]+ 1292.988923 332.8
[M+K]+ 1313.918258 331.5
[M+H-H2O]+ 1257.952360 300.8
[M+HCOO]- 1319.953301 325.9
[M+CH3COO]- 1333.968951 292.7
[M+Na-2H]- 1295.929766 312.5
[M]+ 1274.95455142 313.2
[M]- 1274.95564858 313.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.