CID 56843365

3,6,9,12,15,18,21,24-octaoxaheptacosane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,26,27,27,27-dotriacontafluoro-5,8,11,14,17,20,23-heptakis(trifluoromethyl)-

Structural Information

Molecular Formula
C26HF53O8
SMILES
C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(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)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C26HF53O8/c27-1(2(28,29)30)80-20(66,67)4(33,12(43,44)45)82-22(70,71)6(35,14(49,50)51)84-24(74,75)8(37,16(55,56)57)86-26(78,79)10(39,18(61,62)63)87-25(76,77)9(38,17(58,59)60)85-23(72,73)7(36,15(52,53)54)83-21(68,69)5(34,13(46,47)48)81-19(64,65)3(31,32)11(40,41)42/h1H
InChIKey
SIEUTGCQJFIIPL-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1447.8826 Da
Monoisotopic Mass

18.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1448.8899 313.8
[M+Na]+ 1470.8718 313.7
[M-H]- 1446.8753 325.5
[M+NH4]+ 1465.9164 321.5
[M+K]+ 1486.8458 323.3
[M+H-H2O]+ 1430.8799 307.0
[M+HCOO]- 1492.8808 319.3
[M+CH3COO]- 1506.8965 271.1
[M+Na-2H]- 1468.8573 315.8
[M]+ 1447.8821 301.9
[M]- 1447.8831 301.9
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.