CID 139597402

Hopas n=7 m=12

Structural Information

Molecular Formula
C38H49F29O12
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(C(C(C(C(C(C(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)(F)F
InChI
InChI=1S/C38H49F29O12/c39-25(40,1-3-69-5-7-71-9-11-73-13-15-75-17-19-77-21-23-79-24-22-78-20-18-76-16-14-74-12-10-72-8-6-70-4-2-68)26(41,42)27(43,44)28(45,46)29(47,48)30(49,50)31(51,52)32(53,54)33(55,56)34(57,58)35(59,60)36(61,62)37(63,64)38(65,66)67/h68H,1-24H2
InChIKey
UYDPCPOKJJTBNR-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1248.2761 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1249.2834 285.8
[M+Na]+ 1271.2653 281.6
[M-H]- 1247.2688 295.9
[M+NH4]+ 1266.3099 300.7
[M+K]+ 1287.2393 301.7
[M+H-H2O]+ 1231.2734 270.5
[M+HCOO]- 1293.2743 293.8
[M+CH3COO]- 1307.2900 308.1
[M+Na-2H]- 1269.2508 277.7
[M]+ 1248.2756 290.3
[M]- 1248.2766 290.3
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.