CID 13651413

93776-07-9

Structural Information

Molecular Formula
C32H45F21O11
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(CC(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)O
InChI
InChI=1S/C32H45F21O11/c1-55-2-3-56-4-5-57-6-7-58-8-9-59-10-11-60-12-13-61-14-15-62-16-17-63-18-19-64-21-22(54)20-23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)29(45,46)30(47,48)31(49,50)32(51,52)53/h22,54H,2-21H2,1H3
InChIKey
PQQMYDRGSSPSSH-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1004.26263 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1005.2699 153.3
[M+Na]+ 1027.2518 153.3
[M+NH4]+ 1022.2965 153.3
[M+K]+ 1043.2258 153.3
[M-H]- 1003.2554 153.3
[M+Na-2H]- 1025.2373 153.2
[M]+ 1004.2621 153.3
[M]- 1004.2632 153.3
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.