CID 139596157

Hopas n=7 m=14

Structural Information

Molecular Formula
C42H57F29O14
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C42H57F29O14/c43-29(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)39(63,64)40(65,66)41(67,68)42(69,70)71)1-3-73-5-7-75-9-11-77-13-15-79-17-19-81-21-23-83-25-27-85-28-26-84-24-22-82-20-18-80-16-14-78-12-10-76-8-6-74-4-2-72/h72H,1-28H2
InChIKey
MWQDKRVHHQTYRO-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)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

1336.3285 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1337.335776 302.6
[M+Na]+ 1359.317718 297.4
[M-H]- 1335.321224 312.5
[M+NH4]+ 1354.362323 318.3
[M+K]+ 1375.291658 318.2
[M+H-H2O]+ 1319.325760 287.3
[M+HCOO]- 1381.326701 309.0
[M+CH3COO]- 1395.342351 314.0
[M+Na-2H]- 1357.303166 292.7
[M]+ 1336.32795142 309.6
[M]- 1336.32904858 309.6
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.