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]+ 1337.3358 302.6
[M+Na]+ 1359.3177 297.4
[M-H]- 1335.3212 312.5
[M+NH4]+ 1354.3623 318.3
[M+K]+ 1375.2917 318.2
[M+H-H2O]+ 1319.3258 287.3
[M+HCOO]- 1381.3267 309.0
[M+CH3COO]- 1395.3424 314.0
[M+Na-2H]- 1357.3032 292.7
[M]+ 1336.3280 309.6
[M]- 1336.3290 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.