CID 139596135

Hopas n=6 m=17

Structural Information

Molecular Formula
C46H69F25O17
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C46H69F25O17/c47-35(48,36(49,50)37(51,52)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)71)1-3-73-5-7-75-9-11-77-13-15-79-17-19-81-21-23-83-25-27-85-29-31-87-33-34-88-32-30-86-28-26-84-24-22-82-20-18-80-16-14-78-12-10-76-8-6-74-4-2-72/h72H,1-34H2
InChIKey
MTMYAROGGYJRPW-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1368.4136 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1369.4209 321.1
[M+Na]+ 1391.4028 313.9
[M-H]- 1367.4063 328.9
[M+NH4]+ 1386.4474 338.1
[M+K]+ 1407.3768 335.3
[M+H-H2O]+ 1351.4109 305.7
[M+HCOO]- 1413.4118 325.5
[M+CH3COO]- 1427.4275 324.6
[M+Na-2H]- 1389.3883 306.3
[M]+ 1368.4131 332.6
[M]- 1368.4141 332.6
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.