CID 139597041

Hopas n=6 m=18

Structural Information

Molecular Formula
C48H73F25O18
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C48H73F25O18/c49-37(50,38(51,52)39(53,54)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)73)1-3-75-5-7-77-9-11-79-13-15-81-17-19-83-21-23-85-25-27-87-29-31-89-33-35-91-36-34-90-32-30-88-28-26-86-24-22-84-20-18-82-16-14-80-12-10-78-8-6-76-4-2-74/h74H,1-36H2
InChIKey
SCWSSUIVHQCCSP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)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

1412.4398 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1413.4471 330.7
[M+Na]+ 1435.4290 322.9
[M-H]- 1411.4325 338.3
[M+NH4]+ 1430.4736 348.1
[M+K]+ 1451.4030 344.6
[M+H-H2O]+ 1395.4371 315.3
[M+HCOO]- 1457.4380 334.1
[M+CH3COO]- 1471.4537 327.5
[M+Na-2H]- 1433.4145 314.9
[M]+ 1412.4393 343.8
[M]- 1412.4403 343.8
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.