CID 123535

3,6,9,12,15,18-hexaoxaheneicosane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-hexacosafluoro-5,8,11,14,17-pentakis(trifluoromethyl)-

Structural Information

Molecular Formula
C20HF41O6
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)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C20HF41O6/c21-1(2(22,23)24)62-16(52,53)4(27,10(35,36)37)64-18(56,57)6(29,12(41,42)43)66-20(60,61)8(31,14(47,48)49)67-19(58,59)7(30,13(44,45)46)65-17(54,55)5(28,11(38,39)40)63-15(50,51)3(25,26)9(32,33)34/h1H
InChIKey
RPIANCZCOWLFSM-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-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

1115.9119 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1116.9192 254.6
[M+Na]+ 1138.9011 254.9
[M-H]- 1114.9046 268.3
[M+NH4]+ 1133.9457 266.7
[M+K]+ 1154.8751 269.4
[M+H-H2O]+ 1098.9092 244.1
[M+HCOO]- 1160.9101 265.0
[M+CH3COO]- 1174.9258 277.2
[M+Na-2H]- 1136.8866 258.1
[M]+ 1115.9114 248.9
[M]- 1115.9124 248.9
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

patents stripe