CID 139598278

Hopas n=5 m=13

Structural Information

Molecular Formula
C36H53F21O13
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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
InChI
InChI=1S/C36H53F21O13/c37-27(38,28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)33(49,50)34(51,52)35(53,54)36(55,56)57)1-3-59-5-7-61-9-11-63-13-15-65-17-19-67-21-23-69-25-26-70-24-22-68-20-18-66-16-14-64-12-10-62-8-6-60-4-2-58/h58H,1-26H2
InChIKey
ZUWYMTVJNOQSNG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)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

1092.3151 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1093.3224 274.3
[M+Na]+ 1115.3043 269.5
[M-H]- 1091.3078 280.7
[M+NH4]+ 1110.3489 289.1
[M+K]+ 1131.2783 287.7
[M+H-H2O]+ 1075.3124 260.0
[M+HCOO]- 1137.3133 283.1
[M+CH3COO]- 1151.3290 308.5
[M+Na-2H]- 1113.2898 261.5
[M]+ 1092.3146 279.4
[M]- 1092.3156 279.4
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.