CID 139595787

Hopas n=7 m=11

Structural Information

Molecular Formula
C36H45F29O11
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(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)(F)F)(F)F
InChI
InChI=1S/C36H45F29O11/c37-23(38,1-3-67-5-7-69-9-11-71-13-15-73-17-19-75-21-22-76-20-18-74-16-14-72-12-10-70-8-6-68-4-2-66)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)33(57,58)34(59,60)35(61,62)36(63,64)65/h66H,1-22H2
InChIKey
KNRKEKXEZZRFKU-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1204.2499 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1205.2572 277.5
[M+Na]+ 1227.2391 273.9
[M-H]- 1203.2426 287.8
[M+NH4]+ 1222.2837 292.2
[M+K]+ 1243.2131 293.7
[M+H-H2O]+ 1187.2472 262.4
[M+HCOO]- 1249.2481 286.3
[M+CH3COO]- 1263.2638 304.9
[M+Na-2H]- 1225.2246 270.4
[M]+ 1204.2494 281.0
[M]- 1204.2504 281.0
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.