CID 139595335

Hopas n=4 m=13

Structural Information

Molecular Formula
C34H53F17O13
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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
InChI
InChI=1S/C34H53F17O13/c35-27(36,28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)33(47,48)34(49,50)51)1-3-53-5-7-55-9-11-57-13-15-59-17-19-61-21-23-63-25-26-64-24-22-62-20-18-60-16-14-58-12-10-56-8-6-54-4-2-52/h52H,1-26H2
InChIKey
HWRIEKDYUSZEPJ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)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

992.3215 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 993.32878 265.2
[M+Na]+ 1015.3107 260.8
[M-H]- 991.31422 268.8
[M+NH4]+ 1010.3553 278.7
[M+K]+ 1031.2847 276.2
[M+H-H2O]+ 975.31876 252.7
[M+HCOO]- 1037.3197 274.8
[M+CH3COO]- 1051.3354 302.3
[M+Na-2H]- 1013.2962 250.7
[M]+ 992.32095 269.0
[M]- 992.32205 269.0
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.