CID 6453864

3,6,9,12,15,18,21-heptaoxatetracosane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,23,24,24,24-nonacosafluoro-5,8,11,14,17,20-hexakis(trifluoromethyl)-

Structural Information

Molecular Formula
C23HF47O7
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)(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/C23HF47O7/c24-1(2(25,26)27)71-18(59,60)4(30,11(39,40)41)73-20(63,64)6(32,13(45,46)47)75-22(67,68)8(34,15(51,52)53)77-23(69,70)9(35,16(54,55)56)76-21(65,66)7(33,14(48,49)50)74-19(61,62)5(31,12(42,43)44)72-17(57,58)3(28,29)10(36,37)38/h1H
InChIKey
FRXPWPKRXZUZRK-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-(1,1,2,2,3,3,3-heptafluoropropoxy)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

1281.8972 Da
Monoisotopic Mass

16.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1282.9045 283.7
[M+Na]+ 1304.8864 283.7
[M-H]- 1280.8899 296.6
[M+NH4]+ 1299.9310 293.7
[M+K]+ 1320.8604 296.0
[M+H-H2O]+ 1264.8945 275.0
[M+HCOO]- 1326.8954 291.5
[M+CH3COO]- 1340.9111 275.2
[M+Na-2H]- 1302.8719 286.8
[M]+ 1281.8967 274.9
[M]- 1281.8977 274.9
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.