CID 15219598

167631-99-4

Structural Information

Molecular Formula
C21H3F41O7
SMILES
C(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)O
InChI
InChI=1S/C21H3F41O7/c22-2(1-63,9(30,31)32)64-17(53,54)4(25,11(36,37)38)66-19(57,58)6(27,13(42,43)44)68-21(61,62)8(29,15(48,49)50)69-20(59,60)7(28,14(45,46)47)67-18(55,56)5(26,12(39,40)41)65-16(51,52)3(23,24)10(33,34)35/h63H,1H2
InChIKey
SAETUWCYSIJUEM-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-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]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

1145.9224 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1146.9297 152.5
[M+Na]+ 1168.9116 152.5
[M+NH4]+ 1163.9562 152.5
[M+K]+ 1184.8856 152.5
[M-H]- 1144.9151 152.5
[M+Na-2H]- 1166.8971 152.5
[M]+ 1145.9219 152.5
[M]- 1145.9229 152.5
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