CID 139596033

Hopas n=5 m=17

Structural Information

Molecular Formula
C44H69F21O17
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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
InChI
InChI=1S/C44H69F21O17/c45-35(46,36(47,48)37(49,50)38(51,52)39(53,54)40(55,56)41(57,58)42(59,60)43(61,62)44(63,64)65)1-3-67-5-7-69-9-11-71-13-15-73-17-19-75-21-23-77-25-27-79-29-31-81-33-34-82-32-30-80-28-26-78-24-22-76-20-18-74-16-14-72-12-10-70-8-6-68-4-2-66/h66H,1-34H2
InChIKey
MEBBBESWNUMHCH-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)ethoxy]ethoxy]ethoxy]ethoxy]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

1268.4199 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1269.4272 313.4
[M+Na]+ 1291.4091 306.0
[M-H]- 1267.4126 319.1
[M+NH4]+ 1286.4537 330.2
[M+K]+ 1307.3831 326.0
[M+H-H2O]+ 1251.4172 298.9
[M+HCOO]- 1313.4181 318.4
[M+CH3COO]- 1327.4338 324.6
[M+Na-2H]- 1289.3946 296.4
[M]+ 1268.4194 324.3
[M]- 1268.4204 324.3
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.