CID 139594635

Hopas n=6 m=19

Structural Information

Molecular Formula
C50H77F25O19
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C50H77F25O19/c51-39(52,40(53,54)41(55,56)42(57,58)43(59,60)44(61,62)45(63,64)46(65,66)47(67,68)48(69,70)49(71,72)50(73,74)75)1-3-77-5-7-79-9-11-81-13-15-83-17-19-85-21-23-87-25-27-89-29-31-91-33-35-93-37-38-94-36-34-92-32-30-90-28-26-88-24-22-86-20-18-84-16-14-82-12-10-80-8-6-78-4-2-76/h76H,1-38H2
InChIKey
CVZSDTFNNBKIIA-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1456.466 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1457.4733 152.6
[M+Na]+ 1479.4552 152.6
[M+NH4]+ 1474.4998 152.6
[M+K]+ 1495.4292 152.6
[M-H]- 1455.4587 152.6
[M+Na-2H]- 1477.4407 152.6
[M]+ 1456.4655 152.6
[M]- 1456.4665 152.6
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.