CID 112758346
1383437-42-0
Structural Information
- Molecular Formula
- C54H12F102N3O18P3
- SMILES
- C(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)OP1(=NP(=NP(=N1)(OCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)OCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(OCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)OCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)OCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
- InChI
- InChI=1S/C54H12F102N3O18P3/c55-7(25(79,80)81,166-49(145,146)19(73,37(115,116)117)172-43(133,134)13(61,62)31(97,98)99)1-160-178(161-2-8(56,26(82,83)84)167-50(147,148)20(74,38(118,119)120)173-44(135,136)14(63,64)32(100,101)102)157-179(162-3-9(57,27(85,86)87)168-51(149,150)21(75,39(121,122)123)174-45(137,138)15(65,66)33(103,104)105,163-4-10(58,28(88,89)90)169-52(151,152)22(76,40(124,125)126)175-46(139,140)16(67,68)34(106,107)108)159-180(158-178,164-5-11(59,29(91,92)93)170-53(153,154)23(77,41(127,128)129)176-47(141,142)17(69,70)35(109,110)111)165-6-12(60,30(94,95)96)171-54(155,156)24(78,42(130,131)132)177-48(143,144)18(71,72)36(112,113)114/h1-6H2
- InChIKey
- XBZUOIVOOVILBJ-UHFFFAOYSA-N
- Compound name
- 2,2,4,4,6,6-hexakis[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 3021.7773 | 311.4 |
| [M+Na]+ | 3043.7592 | 311.4 |
| [M-H]- | 3019.7627 | 311.4 |
| [M+NH4]+ | 3038.8038 | 311.4 |
| [M+K]+ | 3059.7332 | 311.3 |
| [M+H-H2O]+ | 3003.7673 | 311.4 |
| [M+HCOO]- | 3065.7682 | 311.4 |
| [M+CH3COO]- | 3079.7839 | 254.4 |
| [M+Na-2H]- | 3041.7447 | 311.5 |
| [M]+ | 3020.7695 | 311.4 |
| [M]- | 3020.7705 | 311.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.