CID 139598186

Hopas n=7 m=19

Structural Information

Molecular Formula
C52H77F29O19
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C52H77F29O19/c53-39(54,40(55,56)41(57,58)42(59,60)43(61,62)44(63,64)45(65,66)46(67,68)47(69,70)48(71,72)49(73,74)50(75,76)51(77,78)52(79,80)81)1-3-83-5-7-85-9-11-87-13-15-89-17-19-91-21-23-93-25-27-95-29-31-97-33-35-99-37-38-100-36-34-98-32-30-96-28-26-94-24-22-92-20-18-90-16-14-88-12-10-86-8-6-84-4-2-82/h82H,1-38H2
InChIKey
ZHDHJCZQXGMTTE-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)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

1556.4596 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1557.4669 152.5
[M+Na]+ 1579.4488 152.5
[M+NH4]+ 1574.4934 152.5
[M+K]+ 1595.4228 152.5
[M-H]- 1555.4523 152.5
[M+Na-2H]- 1577.4343 152.5
[M]+ 1556.4591 152.5
[M]- 1556.4601 152.5
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.