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]+ 1448.889876 313.8
[M+Na]+ 1470.871818 313.7
[M-H]- 1446.875324 325.5
[M+NH4]+ 1465.916423 321.5
[M+K]+ 1486.845758 323.3
[M+H-H2O]+ 1430.879860 307.0
[M+HCOO]- 1492.880801 319.3
[M+CH3COO]- 1506.896451 271.1
[M+Na-2H]- 1468.857266 315.8
[M]+ 1447.88205142 301.9
[M]- 1447.88314858 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.