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
2
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 259.7
[M+Na]+ 1027.2518 256.7
[M-H]- 1003.2554 267.6
[M+NH4]+ 1022.2965 274.6
[M+K]+ 1043.2258 274.2
[M+H-H2O]+ 987.25989 245.9
[M+HCOO]- 1049.2608 268.4
[M+CH3COO]- 1063.2765 299.7
[M+Na-2H]- 1025.2373 249.1
[M]+ 1004.2621 262.7
[M]- 1004.2632 262.7
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.