CID 139594210

Hopas n=6 m=14

Structural Information

Molecular Formula
C40H57F25O14
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(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)(F)F)(F)F
InChI
InChI=1S/C40H57F25O14/c41-29(42,30(43,44)31(45,46)32(47,48)33(49,50)34(51,52)35(53,54)36(55,56)37(57,58)38(59,60)39(61,62)40(63,64)65)1-3-67-5-7-69-9-11-71-13-15-73-17-19-75-21-23-77-25-27-79-28-26-78-24-22-76-20-18-74-16-14-72-12-10-70-8-6-68-4-2-66/h66H,1-28H2
InChIKey
APNCUEWWJFJVNV-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)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

1236.335 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1237.3423 293.1
[M+Na]+ 1259.3242 287.6
[M-H]- 1235.3277 301.4
[M+NH4]+ 1254.3688 308.9
[M+K]+ 1275.2982 307.9
[M+H-H2O]+ 1219.3323 277.9
[M+HCOO]- 1281.3332 300.2
[M+CH3COO]- 1295.3489 314.9
[M+Na-2H]- 1257.3097 281.2
[M]+ 1236.3345 300.2
[M]- 1236.3355 300.2
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.