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]+ 1275.9624 318.5
[M+Na]+ 1297.9443 320.1
[M-H]- 1273.9478 331.5
[M+NH4]+ 1292.9889 332.8
[M+K]+ 1313.9183 331.5
[M+H-H2O]+ 1257.9524 300.8
[M+HCOO]- 1319.9533 325.9
[M+CH3COO]- 1333.9690 292.7
[M+Na-2H]- 1295.9298 312.5
[M]+ 1274.9546 313.2
[M]- 1274.9556 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.