CID 102592086

Hopas n=6 m=15

Structural Information

Molecular Formula
C42H61F25O15
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C42H61F25O15/c43-31(44,32(45,46)33(47,48)34(49,50)35(51,52)36(53,54)37(55,56)38(57,58)39(59,60)40(61,62)41(63,64)42(65,66)67)1-3-69-5-7-71-9-11-73-13-15-75-17-19-77-21-23-79-25-27-81-29-30-82-28-26-80-24-22-78-20-18-76-16-14-74-12-10-72-8-6-70-4-2-68/h68H,1-30H2
InChIKey
WIBLOZAOMPRJJA-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)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

1280.3611 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1281.3684 302.3
[M+Na]+ 1303.3503 296.2
[M-H]- 1279.3538 310.5
[M+NH4]+ 1298.3949 318.5
[M+K]+ 1319.3243 316.9
[M+H-H2O]+ 1263.3584 287.0
[M+HCOO]- 1325.3593 308.5
[M+CH3COO]- 1339.3750 318.3
[M+Na-2H]- 1301.3358 289.4
[M]+ 1280.3606 310.8
[M]- 1280.3616 310.8
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.