CID 139594740

Hopas n=7 m=18

Structural Information

Molecular Formula
C50H73F29O18
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C50H73F29O18/c51-37(52,38(53,54)39(55,56)40(57,58)41(59,60)42(61,62)43(63,64)44(65,66)45(67,68)46(69,70)47(71,72)48(73,74)49(75,76)50(77,78)79)1-3-81-5-7-83-9-11-85-13-15-87-17-19-89-21-23-91-25-27-93-29-31-95-33-35-97-36-34-96-32-30-94-28-26-92-24-22-90-20-18-88-16-14-86-12-10-84-8-6-82-4-2-80/h80H,1-36H2
InChIKey
DLAJPYNVVLDTAA-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1512.4333 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1513.4406 337.9
[M+Na]+ 1535.4225 330.7
[M-H]- 1511.4260 347.2
[M+NH4]+ 1530.4671 354.9
[M+K]+ 1551.3965 352.6
[M+H-H2O]+ 1495.4306 322.4
[M+HCOO]- 1557.4315 340.9
[M+CH3COO]- 1571.4472 324.0
[M+Na-2H]- 1533.4080 324.4
[M]+ 1512.4328 350.5
[M]- 1512.4338 350.5
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.