CID 139594879

Hopas n=7 m=20

Structural Information

Molecular Formula
C54H81F29O20
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C54H81F29O20/c55-41(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)51(75,76)52(77,78)53(79,80)54(81,82)83)1-3-85-5-7-87-9-11-89-13-15-91-17-19-93-21-23-95-25-27-97-29-31-99-33-35-101-37-39-103-40-38-102-36-34-100-32-30-98-28-26-96-24-22-94-20-18-92-16-14-90-12-10-88-8-6-86-4-2-84/h84H,1-40H2
InChIKey
FEYZOUWYEAETDY-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)ethoxy]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
2
Annotation Hits

0
References

0
Patents

1600.4858 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1601.4931 356.2
[M+Na]+ 1623.4750 348.1
[M-H]- 1599.4785 365.1
[M+NH4]+ 1618.5196 373.8
[M+K]+ 1639.4490 370.4
[M+H-H2O]+ 1583.4831 340.7
[M+HCOO]- 1645.4840 357.5
[M+CH3COO]- 1659.4997 328.1
[M+Na-2H]- 1621.4605 340.9
[M]+ 1600.4853 372.0
[M]- 1600.4863 372.0
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.