CID 2775075

Hexakis(1h,1h-perfluorooctyloxy)phosphazene

Structural Information

Molecular Formula
C48H12F90N3O6P3
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C48H12F90N3O6P3/c49-7(50,13(61,62)19(73,74)25(85,86)31(97,98)37(109,110)43(121,122)123)1-142-148(143-2-8(51,52)14(63,64)20(75,76)26(87,88)32(99,100)38(111,112)44(124,125)126)139-149(144-3-9(53,54)15(65,66)21(77,78)27(89,90)33(101,102)39(113,114)45(127,128)129,145-4-10(55,56)16(67,68)22(79,80)28(91,92)34(103,104)40(115,116)46(130,131)132)141-150(140-148,146-5-11(57,58)17(69,70)23(81,82)29(93,94)35(105,106)41(117,118)47(133,134)135)147-6-12(59,60)18(71,72)24(83,84)30(95,96)36(107,108)42(119,120)48(136,137)138/h1-6H2
InChIKey
MJLMFELZHDEELW-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

2528.85 Da
Monoisotopic Mass

31.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2529.857276 388.8
[M+Na]+ 2551.839218 388.8
[M-H]- 2527.842724 391.3
[M+NH4]+ 2546.883823 389.0
[M+K]+ 2567.813158 388.8
[M+H-H2O]+ 2511.847260 387.7
[M+HCOO]- 2573.848201 388.3
[M+CH3COO]- 2587.863851 255.1
[M+Na-2H]- 2549.824666 386.1
[M]+ 2528.84945142 382.0
[M]- 2528.85054858 382.0
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