CID 2776114

3,6,9,12,15,18,21-heptaoxatetracosanoyl fluoride, 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-hexacosafluoro-2,5,8,11,14,17,20-heptakis(trifluoromethyl)-

Structural Information

Molecular Formula
C24F48O8
SMILES
C(=O)(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
InChI
InChI=1S/C24F48O8/c25-1(73)2(26,10(35,36)37)74-19(61,62)4(29,12(41,42)43)76-21(65,66)6(31,14(47,48)49)78-23(69,70)8(33,16(53,54)55)80-24(71,72)9(34,17(56,57)58)79-22(67,68)7(32,15(50,51)52)77-20(63,64)5(30,13(44,45)46)75-18(59,60)3(27,28)11(38,39)40
InChIKey
GYBQTMUKFVWQKV-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-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1327.8827 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1328.8900 293.8
[M+Na]+ 1350.8719 293.8
[M-H]- 1326.8754 306.9
[M+NH4]+ 1345.9165 303.6
[M+K]+ 1366.8459 305.5
[M+H-H2O]+ 1310.8800 285.4
[M+HCOO]- 1372.8809 301.1
[M+CH3COO]- 1386.8966 274.3
[M+Na-2H]- 1348.8574 296.5
[M]+ 1327.8822 284.8
[M]- 1327.8832 284.8
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.