CID 139597997

Hopas n=6 m=20

Structural Information

Molecular Formula
C52H81F25O20
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C52H81F25O20/c53-41(54,42(55,56)43(57,58)44(59,60)45(61,62)46(63,64)47(65,66)48(67,68)49(69,70)50(71,72)51(73,74)52(75,76)77)1-3-79-5-7-81-9-11-83-13-15-85-17-19-87-21-23-89-25-27-91-29-31-93-33-35-95-37-39-97-40-38-96-36-34-94-32-30-92-28-26-90-24-22-88-20-18-86-16-14-84-12-10-82-8-6-80-4-2-78/h78H,1-40H2
InChIKey
YHAONWZLTZOMKB-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)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

1500.4922 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1501.4995 350.3
[M+Na]+ 1523.4814 341.4
[M-H]- 1499.4849 357.5
[M+NH4]+ 1518.5260 368.5
[M+K]+ 1539.4554 363.7
[M+H-H2O]+ 1483.4895 334.8
[M+HCOO]- 1545.4904 351.8
[M+CH3COO]- 1559.5061 332.7
[M+Na-2H]- 1521.4669 332.6
[M]+ 1500.4917 366.8
[M]- 1500.4927 366.8
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.