CID 53764187

Hexakis(1h,1h-perfluorohexyloxy)phosphazene

Structural Information

Molecular Formula
C36H12F66N3O6P3
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C36H12F66N3O6P3/c37-7(38,13(49,50)19(61,62)25(73,74)31(85,86)87)1-106-112(107-2-8(39,40)14(51,52)20(63,64)26(75,76)32(88,89)90)103-113(108-3-9(41,42)15(53,54)21(65,66)27(77,78)33(91,92)93,109-4-10(43,44)16(55,56)22(67,68)28(79,80)34(94,95)96)105-114(104-112,110-5-11(45,46)17(57,58)23(69,70)29(81,82)35(97,98)99)111-6-12(47,48)18(59,60)24(71,72)30(83,84)36(100,101)102/h1-6H2
InChIKey
DKAYTGGABMBLHZ-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

1928.8885 Da
Monoisotopic Mass

23.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1929.895776 384.8
[M+Na]+ 1951.877718 384.9
[M-H]- 1927.881224 392.7
[M+NH4]+ 1946.922323 388.0
[M+K]+ 1967.851658 388.3
[M+H-H2O]+ 1911.885760 379.7
[M+HCOO]- 1973.886701 386.3
[M+CH3COO]- 1987.902351 263.6
[M+Na-2H]- 1949.863166 381.6
[M]+ 1928.88795142 370.5
[M]- 1928.88904858 370.5
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

patents stripe