CID 139595975

Hopas n=6 m=8

Structural Information

Molecular Formula
C28H33F25O8
SMILES
C(COCCOCCOCCOCCOCCOCCOCCO)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/C28H33F25O8/c29-17(30,1-3-55-5-7-57-9-11-59-13-15-61-16-14-60-12-10-58-8-6-56-4-2-54)18(31,32)19(33,34)20(35,36)21(37,38)22(39,40)23(41,42)24(43,44)25(45,46)26(47,48)27(49,50)28(51,52)53/h54H,1-16H2
InChIKey
LTSHZCMCJHTCHC-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

972.1776 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 973.18488 241.4
[M+Na]+ 995.16682 239.7
[M-H]- 971.17032 250.6
[M+NH4]+ 990.21142 254.6
[M+K]+ 1011.1408 257.3
[M+H-H2O]+ 955.17486 226.7
[M+HCOO]- 1017.1758 253.7
[M+CH3COO]- 1031.1915 291.2
[M+Na-2H]- 993.15227 235.4
[M]+ 972.17705 242.1
[M]- 972.17815 242.1
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.