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
2
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 347.0
[M+Na]+ 1579.4488 339.4
[M-H]- 1555.4523 356.1
[M+NH4]+ 1574.4934 364.3
[M+K]+ 1595.4228 361.4
[M+H-H2O]+ 1539.4569 331.5
[M+HCOO]- 1601.4578 349.1
[M+CH3COO]- 1615.4735 326.1
[M+Na-2H]- 1577.4343 332.6
[M]+ 1556.4591 361.2
[M]- 1556.4601 361.2
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.