CID 139597846

Hopas n=6 m=16

Structural Information

Molecular Formula
C44H65F25O16
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C44H65F25O16/c45-33(46,34(47,48)35(49,50)36(51,52)37(53,54)38(55,56)39(57,58)40(59,60)41(61,62)42(63,64)43(65,66)44(67,68)69)1-3-71-5-7-73-9-11-75-13-15-77-17-19-79-21-23-81-25-27-83-29-31-85-32-30-84-28-26-82-24-22-80-20-18-78-16-14-76-12-10-74-8-6-72-4-2-70/h70H,1-32H2
InChIKey
XLMNLXGYCUVUJW-UHFFFAOYSA-N
Compound name
2-[2-[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]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1324.3873 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1325.3946 311.6
[M+Na]+ 1347.3765 305.0
[M-H]- 1323.3800 319.6
[M+NH4]+ 1342.4211 328.3
[M+K]+ 1363.3505 326.0
[M+H-H2O]+ 1307.3846 296.3
[M+HCOO]- 1369.3855 316.9
[M+CH3COO]- 1383.4012 321.6
[M+Na-2H]- 1345.3620 297.7
[M]+ 1324.3868 321.6
[M]- 1324.3878 321.6
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.