CID 162345591

1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctoxy)-1,3,5,2,4,6-triazatriphosphinane

Structural Information

Molecular Formula
C48H18F84N3O6P3
SMILES
C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)ON1P(N(P(N(P1OCC(C(C(C(C(C(C(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)OCC(C(C(C(C(C(C(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)OCC(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C48H18F84N3O6P3/c49-7(50)19(73,74)31(97,98)43(121,122)37(109,110)25(85,86)13(61,62)1-136-133-142(139-4-16(67,68)28(91,92)40(115,116)46(127,128)34(103,104)22(79,80)10(55)56)134(137-2-14(63,64)26(87,88)38(111,112)44(123,124)32(99,100)20(75,76)8(51)52)144(141-6-18(71,72)30(95,96)42(119,120)48(131,132)36(107,108)24(83,84)12(59)60)135(138-3-15(65,66)27(89,90)39(113,114)45(125,126)33(101,102)21(77,78)9(53)54)143(133)140-5-17(69,70)29(93,94)41(117,118)47(129,130)35(105,106)23(81,82)11(57)58/h7-12H,1-6H2
InChIKey
WSJVFQUZEUKUIO-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctoxy)-1,3,5,2,4,6-triazatriphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

2420.9067 Da
Monoisotopic Mass

30.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2421.9140 399.0
[M+Na]+ 2443.8959 399.0
[M-H]- 2419.8994 403.0
[M+NH4]+ 2438.9405 399.6
[M+K]+ 2459.8699 399.4
[M+H-H2O]+ 2403.9040 397.1
[M+HCOO]- 2465.9049 398.3
[M+CH3COO]- 2479.9206 256.5
[M+Na-2H]- 2441.8814 395.2
[M]+ 2420.9062 388.9
[M]- 2420.9072 388.9
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

No patent data available for this compound.