CID 139596200

Hopas n=6 m=10

Structural Information

Molecular Formula
C32H41F25O10
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C32H41F25O10/c33-21(34,1-3-59-5-7-61-9-11-63-13-15-65-17-19-67-20-18-66-16-14-64-12-10-62-8-6-60-4-2-58)22(35,36)23(37,38)24(39,40)25(41,42)26(43,44)27(45,46)28(47,48)29(49,50)30(51,52)31(53,54)32(55,56)57/h58H,1-20H2
InChIKey
NEGIBKCHKDYAIW-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1060.2301 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1061.2374 258.0
[M+Na]+ 1083.2193 255.0
[M-H]- 1059.2228 266.9
[M+NH4]+ 1078.2639 272.1
[M+K]+ 1099.1933 273.5
[M+H-H2O]+ 1043.2274 243.0
[M+HCOO]- 1105.2283 268.6
[M+CH3COO]- 1119.2440 299.7
[M+Na-2H]- 1081.2048 250.0
[M]+ 1060.2296 260.4
[M]- 1060.2306 260.4
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.