CID 139597323

Hopas n=4 m=19

Structural Information

Molecular Formula
C46H77F17O19
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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
InChI
InChI=1S/C46H77F17O19/c47-39(48,40(49,50)41(51,52)42(53,54)43(55,56)44(57,58)45(59,60)46(61,62)63)1-3-65-5-7-67-9-11-69-13-15-71-17-19-73-21-23-75-25-27-77-29-31-79-33-35-81-37-38-82-36-34-80-32-30-78-28-26-76-24-22-74-20-18-72-16-14-70-12-10-68-8-6-66-4-2-64/h64H,1-38H2
InChIKey
UMKOAWQOMGVMKT-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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

1256.4788 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1257.4861 328.0
[M+Na]+ 1279.4680 319.2
[M-H]- 1255.4715 330.5
[M+NH4]+ 1274.5126 344.7
[M+K]+ 1295.4420 337.7
[M+H-H2O]+ 1239.4761 315.0
[M+HCOO]- 1301.4770 331.3
[M+CH3COO]- 1315.4927 329.4
[M+Na-2H]- 1277.4535 306.7
[M]+ 1256.4783 340.9
[M]- 1256.4793 340.9
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.