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

compound 2d structure
2
Annotation Hits

0
References

2
Patents

3020.77 Da
Monoisotopic Mass

36.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 3021.777276 311.4
[M+Na]+ 3043.759218 311.4
[M-H]- 3019.762724 311.4
[M+NH4]+ 3038.803823 311.4
[M+K]+ 3059.733158 311.3
[M+H-H2O]+ 3003.767260 311.4
[M+HCOO]- 3065.768201 311.4
[M+CH3COO]- 3079.783851 254.4
[M+Na-2H]- 3041.744666 311.5
[M]+ 3020.76945142 311.4
[M]- 3020.77054858 311.4
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