CID 139597067

Hopas n=6 m=13

Structural Information

Molecular Formula
C38H53F25O13
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C38H53F25O13/c39-27(40,28(41,42)29(43,44)30(45,46)31(47,48)32(49,50)33(51,52)34(53,54)35(55,56)36(57,58)37(59,60)38(61,62)63)1-3-65-5-7-67-9-11-69-13-15-71-17-19-73-21-23-75-25-26-76-24-22-74-20-18-72-16-14-70-12-10-68-8-6-66-4-2-64/h64H,1-26H2
InChIKey
SGSISWCGFHJZFG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)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

1192.3087 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1193.3160 284.1
[M+Na]+ 1215.2979 279.2
[M-H]- 1191.3014 292.6
[M+NH4]+ 1210.3425 299.5
[M+K]+ 1231.2719 299.1
[M+H-H2O]+ 1175.3060 268.9
[M+HCOO]- 1237.3069 292.1
[M+CH3COO]- 1251.3226 311.4
[M+Na-2H]- 1213.2834 273.1
[M]+ 1192.3082 289.9
[M]- 1192.3092 289.9
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.