CID 139596537

Hopas n=5 m=18

Structural Information

Molecular Formula
C46H73F21O18
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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
InChI
InChI=1S/C46H73F21O18/c47-37(48,38(49,50)39(51,52)40(53,54)41(55,56)42(57,58)43(59,60)44(61,62)45(63,64)46(65,66)67)1-3-69-5-7-71-9-11-73-13-15-75-17-19-77-21-23-79-25-27-81-29-31-83-33-35-85-36-34-84-32-30-82-28-26-80-24-22-78-20-18-76-16-14-74-12-10-72-8-6-70-4-2-68/h68H,1-36H2
InChIKey
PAMGXWGHWKJAJQ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)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

1312.4462 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1313.4535 323.6
[M+Na]+ 1335.4354 315.5
[M-H]- 1311.4389 329.1
[M+NH4]+ 1330.4800 340.8
[M+K]+ 1351.4094 336.0
[M+H-H2O]+ 1295.4435 309.1
[M+HCOO]- 1357.4444 327.5
[M+CH3COO]- 1371.4601 328.1
[M+Na-2H]- 1333.4209 305.6
[M]+ 1312.4457 336.2
[M]- 1312.4467 336.2
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.