CID 139594227

Hopas n=5 m=14

Structural Information

Molecular Formula
C38H57F21O14
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C38H57F21O14/c39-29(40,30(41,42)31(43,44)32(45,46)33(47,48)34(49,50)35(51,52)36(53,54)37(55,56)38(57,58)59)1-3-61-5-7-63-9-11-65-13-15-67-17-19-69-21-23-71-25-27-73-28-26-72-24-22-70-20-18-68-16-14-66-12-10-64-8-6-62-4-2-60/h60H,1-28H2
InChIKey
ASHXBPGBCRLMLE-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)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

1136.3413 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1137.3486 283.8
[M+Na]+ 1159.3305 278.4
[M-H]- 1135.3340 290.0
[M+NH4]+ 1154.3751 299.1
[M+K]+ 1175.3045 297.1
[M+H-H2O]+ 1119.3386 269.5
[M+HCOO]- 1181.3395 291.7
[M+CH3COO]- 1195.3552 312.8
[M+Na-2H]- 1157.3160 270.0
[M]+ 1136.3408 290.2
[M]- 1136.3418 290.2
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.