CID 6454119

61098-01-9

Structural Information

Molecular Formula
C22F46O6
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)(F)F)(F)F)F)(F)F)F)(F)F)F)(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
InChI
InChI=1S/C22F46O6/c23-1(24,9(33,34)35)17(57,58)71-5(29,13(45,46)47)21(65,66)73-7(31,15(51,52)53)19(61,62)69-3(27,11(39,40)41)4(28,12(42,43)44)70-20(63,64)8(32,16(54,55)56)74-22(67,68)6(30,14(48,49)50)72-18(59,60)2(25,26)10(36,37)38
InChIKey
CGVSQESGRSXVJM-UHFFFAOYSA-N
Compound name
1,1,1,2,3,4,4,4-octafluoro-2,3-bis[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]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

1233.896 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1234.9033 152.5
[M+Na]+ 1256.8852 152.5
[M+NH4]+ 1251.9298 152.5
[M+K]+ 1272.8592 152.5
[M-H]- 1232.8887 152.5
[M+Na-2H]- 1254.8707 152.5
[M]+ 1233.8955 152.5
[M]- 1233.8965 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