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]+ 1978.008476 395.5
[M+Na]+ 1999.990418 395.7
[M-H]- 1975.993924 404.5
[M+NH4]+ 1995.035023 400.0
[M+K]+ 2015.964358 400.2
[M+H-H2O]+ 1959.998460 389.5
[M+HCOO]- 2021.999401 395.8
[M+CH3COO]- 2036.015051 267.7
[M+Na-2H]- 1997.975866 391.0
[M]+ 1977.00065142 381.6
[M]- 1977.00174858 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