CID 45075663

Hexakis(1h,1h,9h-perfluorononyloxy)phosphazene

Structural Information

Molecular Formula
C54H18F96N3O6P3
SMILES
C(C(C(C(C(C(C(C(C(F)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(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C54H18F96N3O6P3/c55-7(56)19(79,80)31(103,104)43(127,128)49(139,140)37(115,116)25(91,92)13(67,68)1-154-160(155-2-14(69,70)26(93,94)38(117,118)50(141,142)44(129,130)32(105,106)20(81,82)8(57)58)151-161(156-3-15(71,72)27(95,96)39(119,120)51(143,144)45(131,132)33(107,108)21(83,84)9(59)60,157-4-16(73,74)28(97,98)40(121,122)52(145,146)46(133,134)34(109,110)22(85,86)10(61)62)153-162(152-160,158-5-17(75,76)29(99,100)41(123,124)53(147,148)47(135,136)35(111,112)23(87,88)11(63)64)159-6-18(77,78)30(101,102)42(125,126)54(149,150)48(137,138)36(113,114)24(89,90)12(65)66/h7-12H,1-6H2
InChIKey
ZVDUXGKGHNHXGM-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

2720.8875 Da
Monoisotopic Mass

34.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2721.894776 385.2
[M+Na]+ 2743.876718 385.2
[M-H]- 2719.880224 387.1
[M+NH4]+ 2738.921323 385.3
[M+K]+ 2759.850658 385.1
[M+H-H2O]+ 2703.884760 384.4
[M+HCOO]- 2765.885701 384.7
[M+CH3COO]- 2779.901351 254.8
[M+Na-2H]- 2741.862166 311.3
[M]+ 2720.88695142 380.1
[M]- 2720.88804858 380.1
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