CID 139595190

Hopas n=7 m=15

Structural Information

Molecular Formula
C44H61F29O15
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C44H61F29O15/c45-31(46,32(47,48)33(49,50)34(51,52)35(53,54)36(55,56)37(57,58)38(59,60)39(61,62)40(63,64)41(65,66)42(67,68)43(69,70)44(71,72)73)1-3-75-5-7-77-9-11-79-13-15-81-17-19-83-21-23-85-25-27-87-29-30-88-28-26-86-24-22-84-20-18-82-16-14-80-12-10-78-8-6-76-4-2-74/h74H,1-30H2
InChIKey
HBILHDUANMBILH-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)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

1380.3547 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1381.361976 311.3
[M+Na]+ 1403.343918 305.5
[M-H]- 1379.347424 321.0
[M+NH4]+ 1398.388523 327.3
[M+K]+ 1419.317858 326.6
[M+H-H2O]+ 1363.351960 295.9
[M+HCOO]- 1425.352901 316.8
[M+CH3COO]- 1439.368551 316.7
[M+Na-2H]- 1401.329366 300.5
[M]+ 1380.35415142 319.6
[M]- 1380.35524858 319.6
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.