CID 44717183

2,2,4,4,6-pentakis[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-6-[(2,2,7,7-tetrafluoroheptyl)oxy]-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine

Structural Information

Molecular Formula
C42H26F64N3O6P3
SMILES
C(CCC(COP1(=NP(=NP(=N1)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(F)F
InChI
InChI=1S/C42H26F64N3O6P3/c43-11(44)3-1-2-4-17(55,56)5-110-116(111-6-18(57,58)28(77,78)38(97,98)33(87,88)23(67,68)12(45)46)107-117(112-7-19(59,60)29(79,80)39(99,100)34(89,90)24(69,70)13(47)48,113-8-20(61,62)30(81,82)40(101,102)35(91,92)25(71,72)14(49)50)109-118(108-116,114-9-21(63,64)31(83,84)41(103,104)36(93,94)26(73,74)15(51)52)115-10-22(65,66)32(85,86)42(105,106)37(95,96)27(75,76)16(53)54/h11-16H,1-10H2
InChIKey
NYIFVLKUMGMTPW-UHFFFAOYSA-N
Compound name
2,2,4,4,6-pentakis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-6-(2,2,7,7-tetrafluoroheptoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1977.0012 Da
Monoisotopic Mass

24.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1978.0085 395.5
[M+Na]+ 1999.9904 395.7
[M-H]- 1975.9939 404.5
[M+NH4]+ 1995.0350 400.0
[M+K]+ 2015.9644 400.2
[M+H-H2O]+ 1959.9985 389.5
[M+HCOO]- 2021.9994 395.8
[M+CH3COO]- 2036.0151 267.7
[M+Na-2H]- 1997.9759 391.0
[M]+ 1977.0007 381.6
[M]- 1977.0017 381.6
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