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

1
Patents

1928.8885 Da
Monoisotopic Mass

23.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1929.8958 384.8
[M+Na]+ 1951.8777 384.9
[M-H]- 1927.8812 392.7
[M+NH4]+ 1946.9223 388.0
[M+K]+ 1967.8517 388.3
[M+H-H2O]+ 1911.8858 379.7
[M+HCOO]- 1973.8867 386.3
[M+CH3COO]- 1987.9024 263.6
[M+Na-2H]- 1949.8632 381.6
[M]+ 1928.8880 370.5
[M]- 1928.8890 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