CID 139595744

Hopas n=7 m=13

Structural Information

Molecular Formula
C40H53F29O13
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C40H53F29O13/c41-27(42,1-3-71-5-7-73-9-11-75-13-15-77-17-19-79-21-23-81-25-26-82-24-22-80-20-18-78-16-14-76-12-10-74-8-6-72-4-2-70)28(43,44)29(45,46)30(47,48)31(49,50)32(51,52)33(53,54)34(55,56)35(57,58)36(59,60)37(61,62)38(63,64)39(65,66)40(67,68)69/h70H,1-26H2
InChIKey
KIJBUGHQNIOQLL-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)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

1292.3024 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1293.3097 294.1
[M+Na]+ 1315.2916 289.4
[M-H]- 1291.2951 304.2
[M+NH4]+ 1310.3362 309.5
[M+K]+ 1331.2656 309.9
[M+H-H2O]+ 1275.2997 278.8
[M+HCOO]- 1337.3006 301.3
[M+CH3COO]- 1351.3163 311.1
[M+Na-2H]- 1313.2771 285.1
[M]+ 1292.3019 299.9
[M]- 1292.3029 299.9
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.